N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide

C162H203F2N47O29S — CID 162056870

IUPACN-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2ccc(F)cc2s1.CC(C)C(=O)Nc1nc2ccccc2[nH]1.CC(C)C(=O)Nc1nc2ccccc2o1.CC(C)C(=O)Nc1ncc(OC[C@@H](O)CO)cn1.CC(C)C(=O)Nc1ncc(OC[C@H](O)CO)cn1.CC(C)C(=O)Nc1nccc(-c2ccccc2)n1.CC(C)C(=O)Nc1nccc(-c2cnco2)n1.CC(C)C(=O)Nc1nccc(-c2cnn(C)c2)n1.CC(C)C(=O)Nc1nccc(OC[C@@H](O)CO)n1.CC(C)C(=O)Nc1nccc(OC[C@H](O)CO)n1.CC(C)C(=O)Nc1ncnc2cccc(F)c12.Cc1ccc2c(NC(=O)C(C)C)n[nH]c2n1.Cc1ncc(-c2ccnc(NC(=O)C(C)C)n2)o1.Cc1nn(C)cc1-c1ccnc(NC(=O)C(C)C)n1
InChIInChI=1S/C14H15N3O.C13H17N5O.C12H12FN3O.C12H15N5O.C12H14N4O2.C11H11FN2OS.C11H12N4O2.C11H14N4O.4C11H17N3O4.C11H13N3O.C11H12N2O2/c1-10(2)13(18)17-14-15-9-8-12(16-14)11-6-4-3-5-7-11;1-8(2)12(19)16-13-14-6-5-11(15-13)10-7-18(4)17-9(10)3;1-7(2)12(17)16-11-10-8(13)4-3-5-9(10)14-6-15-11;1-8(2)11(18)16-12-13-5-4-10(15-12)9-6-14-17(3)7-9;1-7(2)11(17)16-12-13-5-4-9(15-12)10-6-14-8(3)18-10;1-6(2)10(15)14-11-13-8-4-3-7(12)5-9(8)16-11;1-7(2)10(16)15-11-13-4-3-8(14-11)9-5-12-6-17-9;1-6(2)11(16)13-10-8-5-4-7(3)12-9(8)14-15-10;2*1-7(2)10(17)14-11-12-3-9(4-13-11)18-6-8(16)5-15;2*1-7(2)10(17)14-11-12-4-3-9(13-11)18-6-8(16)5-15;1-7(2)10(15)14-11-12-8-5-3-4-6-9(8)13-11;1-7(2)10(14)13-11-12-8-5-3-4-6-9(8)15-11/h3-10H,1-2H3,(H,15,16,17,18);5-8H,1-4H3,(H,14,15,16,19);3-7H,1-2H3,(H,14,15,16,17);4-8H,1-3H3,(H,13,15,16,18);4-7H,1-3H3,(H,13,15,16,17);3-6H,1-2H3,(H,13,14,15);3-7H,1-2H3,(H,13,14,15,16);4-6H,1-3H3,(H2,12,13,14,15,16);4*3-4,7-8,15-16H,5-6H2,1-2H3,(H,12,13,14,17);3-7H,1-2H3,(H2,12,13,14,15);3-7H,1-2H3,(H,12,13,14)/t;;;;;;;;4*8-;;/m........1010../s1
InChIKeyYZHMYZUSIKMDAQ-IZDYABLFSA-N
MW3342.77 g/mol
LogP20.80
Rot. Bonds49

About N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide

N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide (PubChem CID 162056870) has the molecular formula C162H203F2N47O29S and a molecular weight of 3342.77 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide
PubChem CID162056870
Molecular FormulaC162H203F2N47O29S
Molecular Weight3342.77 g/mol
Exact Mass3340.55
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2ccc(F)cc2s1.CC(C)C(=O)Nc1nc2ccccc2[nH]1.CC(C)C(=O)Nc1nc2ccccc2o1.CC(C)C(=O)Nc1ncc(OC[C@@H](O)CO)cn1.CC(C)C(=O)Nc1ncc(OC[C@H](O)CO)cn1.CC(C)C(=O)Nc1nccc(-c2ccccc2)n1.CC(C)C(=O)Nc1nccc(-c2cnco2)n1.CC(C)C(=O)Nc1nccc(-c2cnn(C)c2)n1.CC(C)C(=O)Nc1nccc(OC[C@@H](O)CO)n1.CC(C)C(=O)Nc1nccc(OC[C@H](O)CO)n1.CC(C)C(=O)Nc1ncnc2cccc(F)c12.Cc1ccc2c(NC(=O)C(C)C)n[nH]c2n1.Cc1ncc(-c2ccnc(NC(=O)C(C)C)n2)o1.Cc1nn(C)cc1-c1ccnc(NC(=O)C(C)C)n1
InChIInChI=1S/C14H15N3O.C13H17N5O.C12H12FN3O.C12H15N5O.C12H14N4O2.C11H11FN2OS.C11H12N4O2.C11H14N4O.4C11H17N3O4.C11H13N3O.C11H12N2O2/c1-10(2)13(18)17-14-15-9-8-12(16-14)11-6-4-3-5-7-11;1-8(2)12(19)16-13-14-6-5-11(15-13)10-7-18(4)17-9(10)3;1-7(2)12(17)16-11-10-8(13)4-3-5-9(10)14-6-15-11;1-8(2)11(18)16-12-13-5-4-10(15-12)9-6-14-17(3)7-9;1-7(2)11(17)16-12-13-5-4-9(15-12)10-6-14-8(3)18-10;1-6(2)10(15)14-11-13-8-4-3-7(12)5-9(8)16-11;1-7(2)10(16)15-11-13-4-3-8(14-11)9-5-12-6-17-9;1-6(2)11(16)13-10-8-5-4-7(3)12-9(8)14-15-10;2*1-7(2)10(17)14-11-12-3-9(4-13-11)18-6-8(16)5-15;2*1-7(2)10(17)14-11-12-4-3-9(13-11)18-6-8(16)5-15;1-7(2)10(15)14-11-12-8-5-3-4-6-9(8)13-11;1-7(2)10(14)13-11-12-8-5-3-4-6-9(8)15-11/h3-10H,1-2H3,(H,15,16,17,18);5-8H,1-4H3,(H,14,15,16,19);3-7H,1-2H3,(H,14,15,16,17);4-8H,1-3H3,(H,13,15,16,18);4-7H,1-3H3,(H,13,15,16,17);3-6H,1-2H3,(H,13,14,15);3-7H,1-2H3,(H,13,14,15,16);4-6H,1-3H3,(H2,12,13,14,15,16);4*3-4,7-8,15-16H,5-6H2,1-2H3,(H,12,13,14,17);3-7H,1-2H3,(H2,12,13,14,15);3-7H,1-2H3,(H,12,13,14)/t;;;;;;;;4*8-;;/m........1010../s1
InChIKeyYZHMYZUSIKMDAQ-IZDYABLFSA-N
XLogP20.80
TPSA1060.83 Ų
H-Bond Donors24
H-Bond Acceptors61
Rotatable Bonds49
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003342.77
LogP ≤ 520.80
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1061

Analyze N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
2-[3-(1,1-difluoroethyl)phenyl]-N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-methylimidazole-2-carboxamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-methylimidazole-4-carboxamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1H-pyrazole-5-carboxamide
CID 158848134
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,3-dihydro-1H-benzimidazole;4,5-dihydro-1,2-oxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
CID 157067399
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;isoquinoline;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157087052
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);phthalazine;pyrazine;bis(pyridine);bis(pyrimidine);bis(1H-pyrrole);quinazoline;quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 157121845
benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
CID 157135557
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;bicyclo[2.2.1]heptane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1H-benzotriazole;3,4-dihydro-2H-1,3-benzoxazine;2,3-dihydro-1H-indole;bis(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine);2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-indole;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;1,2,3,4-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-c]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline
CID 157140984

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide (CID 162056870) is N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide is CC(C)C(=O)Nc1nc2ccc(F)cc2s1.CC(C)C(=O)Nc1nc2ccccc2[nH]1.CC(C)C(=O)Nc1nc2ccccc2o1.CC(C)C(=O)Nc1ncc(OC[C@@H](O)CO)cn1.CC(C)C(=O)Nc1ncc(OC[C@H](O)CO)cn1.CC(C)C(=O)Nc1nccc(-c2ccccc2)n1.CC(C)C(=O)Nc1nccc(-c2cnco2)n1.CC(C)C(=O)Nc1nccc(-c2cnn(C)c2)n1.CC(C)C(=O)Nc1nccc(OC[C@@H](O)CO)n1.CC(C)C(=O)Nc1nccc(OC[C@H](O)CO)n1.CC(C)C(=O)Nc1ncnc2cccc(F)c12.Cc1ccc2c(NC(=O)C(C)C)n[nH]c2n1.Cc1ncc(-c2ccnc(NC(=O)C(C)C)n2)o1.Cc1nn(C)cc1-c1ccnc(NC(=O)C(C)C)n1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide?
The InChIKey is YZHMYZUSIKMDAQ-IZDYABLFSA-N. The full InChI is InChI=1S/C14H15N3O.C13H17N5O.C12H12FN3O.C12H15N5O.C12H14N4O2.C11H11FN2OS.C11H12N4O2.C11H14N4O.4C11H17N3O4.C11H13N3O.C11H12N2O2/c1-10(2)13(18)17-14-15-9-8-12(16-14)11-6-4-3-5-7-11;1-8(2)12(19)16-13-14-6-5-11(15-13)10-7-18(4)17-9(10)3;1-7(2)12(17)16-11-10-8(13)4-3-5-9(10)14-6-15-11;1-8(2)11(18)16-12-13-5-4-10(15-12)9-6-14-17(3)7-9;1-7(2)11(17)16-12-13-5-4-9(15-12)10-6-14-8(3)18-10;1-6(2)10(15)14-11-13-8-4-3-7(12)5-9(8)16-11;1-7(2)10(16)15-11-13-4-3-8(14-11)9-5-12-6-17-9;1-6(2)11(16)13-10-8-5-4-7(3)12-9(8)14-15-10;2*1-7(2)10(17)14-11-12-3-9(4-13-11)18-6-8(16)5-15;2*1-7(2)10(17)14-11-12-4-3-9(13-11)18-6-8(16)5-15;1-7(2)10(15)14-11-12-8-5-3-4-6-9(8)13-11;1-7(2)10(14)13-11-12-8-5-3-4-6-9(8)15-11/h3-10H,1-2H3,(H,15,16,17,18);5-8H,1-4H3,(H,14,15,16,19);3-7H,1-2H3,(H,14,15,16,17);4-8H,1-3H3,(H,13,15,16,18);4-7H,1-3H3,(H,13,15,16,17);3-6H,1-2H3,(H,13,14,15);3-7H,1-2H3,(H,13,14,15,16);4-6H,1-3H3,(H2,12,13,14,15,16);4*3-4,7-8,15-16H,5-6H2,1-2H3,(H,12,13,14,17);3-7H,1-2H3,(H2,12,13,14,15);3-7H,1-2H3,(H,12,13,14)/t;;;;;;;;4*8-;;/m........1010../s1.
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide?
N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide has a molecular weight of 3342.77 g/mol, XLogP of 20.80, 49 rotatable bonds, 24 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methylpropanamide;N-(1,3-benzoxazol-2-yl)-2-methylpropanamide;N-[4-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-2-methylpropanamide;N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;N-(5-fluoroquinazolin-4-yl)-2-methylpropanamide;2-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]propanamide;2-methyl-N-[4-(1,3-oxazol-5-yl)pyrimidin-2-yl]propanamide;2-methyl-N-(4-phenylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 162056870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).