N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

C92H118ClN25O10 — CID 161254845

IUPACN-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(N)n[nH]c2c1.CC(C)C(=O)Nc1ccc2c(N)ncnc2c1.CC(C)C(=O)Nc1ccc2c(N)noc2c1.CC(C)C(=O)Nc1ccc2c(c1)CCNC2.CC(C)C(=O)Nc1ccc2c(c1)CNC2=O.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1C.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1Cl.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cn1
InChIInChI=1S/C13H18N2O.C12H14N4O.C12H17N3O.C12H14N2O2.C11H14ClN3O.C11H14N4O.C11H13N3O2.C10H14N4O/c1-9(2)13(16)15-12-4-3-11-8-14-6-5-10(11)7-12;1-7(2)12(17)16-8-3-4-9-10(5-8)14-6-15-11(9)13;1-7(2)12(16)15-9-4-5-10(11(13)14)8(3)6-9;1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16;1-6(2)11(16)15-7-3-4-8(10(13)14)9(12)5-7;1-6(2)11(16)13-7-3-4-8-9(5-7)14-15-10(8)12;1-6(2)11(15)13-7-3-4-8-9(5-7)16-14-10(8)12;1-6(2)10(15)14-7-3-4-8(9(11)12)13-5-7/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,15,16);3-7H,1-2H3,(H,16,17)(H2,13,14,15);4-7H,1-3H3,(H3,13,14)(H,15,16);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-6H,1-2H3,(H3,13,14)(H,15,16);3-6H,1-2H3,(H,13,16)(H3,12,14,15);3-6H,1-2H3,(H2,12,14)(H,13,15);3-6H,1-2H3,(H3,11,12)(H,14,15)
InChIKeyVBTPOCUNNWLFEI-UHFFFAOYSA-N
MW1769.57 g/mol
LogP14.05
Rot. Bonds19

About N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (PubChem CID 161254845) has the molecular formula C92H118ClN25O10 and a molecular weight of 1769.57 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
PubChem CID161254845
Molecular FormulaC92H118ClN25O10
Molecular Weight1769.57 g/mol
Exact Mass1767.92
IUPAC NameN-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(N)n[nH]c2c1.CC(C)C(=O)Nc1ccc2c(N)ncnc2c1.CC(C)C(=O)Nc1ccc2c(N)noc2c1.CC(C)C(=O)Nc1ccc2c(c1)CCNC2.CC(C)C(=O)Nc1ccc2c(c1)CNC2=O.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1C.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1Cl.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cn1
InChIInChI=1S/C13H18N2O.C12H14N4O.C12H17N3O.C12H14N2O2.C11H14ClN3O.C11H14N4O.C11H13N3O2.C10H14N4O/c1-9(2)13(16)15-12-4-3-11-8-14-6-5-10(11)7-12;1-7(2)12(17)16-8-3-4-9-10(5-8)14-6-15-11(9)13;1-7(2)12(16)15-9-4-5-10(11(13)14)8(3)6-9;1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16;1-6(2)11(16)15-7-3-4-8(10(13)14)9(12)5-7;1-6(2)11(16)13-7-3-4-8-9(5-7)14-15-10(8)12;1-6(2)11(15)13-7-3-4-8-9(5-7)16-14-10(8)12;1-6(2)10(15)14-7-3-4-8(9(11)12)13-5-7/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,15,16);3-7H,1-2H3,(H,16,17)(H2,13,14,15);4-7H,1-3H3,(H3,13,14)(H,15,16);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-6H,1-2H3,(H3,13,14)(H,15,16);3-6H,1-2H3,(H,13,16)(H3,12,14,15);3-6H,1-2H3,(H2,12,14)(H,13,15);3-6H,1-2H3,(H3,11,12)(H,14,15)
InChIKeyVBTPOCUNNWLFEI-UHFFFAOYSA-N
XLogP14.05
TPSA594.98 Ų
H-Bond Donors20
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001769.57
LogP ≤ 514.05
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide with MolForge

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Related Compounds

6-chloro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;6-chloro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;2-cyclopentyl-N-[3-[(6-methyl-3-pyridinyl)amino]-1H-indazol-6-yl]acetamide;6,7-difluoro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;6,7-difluoro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-6-methyl-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-3-N-(6-methyl-3-pyridinyl)-6-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-3,6-diamine;7-fluoro-N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1,2-benzoxazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 160801013
4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide
CID 158406037
3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 159010110
3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;N-(3-ethyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 159857842
N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-1,4-dihydroquinazoline-6-carboximidamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 160061934
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;6-fluoro-7-methylisoquinolin-1-amine;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-benzimidazole);5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline
CID 160366590
2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride
CID 160713261
N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide
CID 161105778
4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 161404051
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;2-chloro-6-methylquinoline;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,7-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 161659614
N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide
CID 161706132
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline;3-methylnaphthalene-2-carboximidamide;2-methyl-1,7-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 172962640

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (CID 161254845) is N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.
What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is CC(C)C(=O)Nc1ccc2c(N)n[nH]c2c1.CC(C)C(=O)Nc1ccc2c(N)ncnc2c1.CC(C)C(=O)Nc1ccc2c(N)noc2c1.CC(C)C(=O)Nc1ccc2c(c1)CCNC2.CC(C)C(=O)Nc1ccc2c(c1)CNC2=O.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1C.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1Cl.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cn1.
What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The InChIKey is VBTPOCUNNWLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C12H14N4O.C12H17N3O.C12H14N2O2.C11H14ClN3O.C11H14N4O.C11H13N3O2.C10H14N4O/c1-9(2)13(16)15-12-4-3-11-8-14-6-5-10(11)7-12;1-7(2)12(17)16-8-3-4-9-10(5-8)14-6-15-11(9)13;1-7(2)12(16)15-9-4-5-10(11(13)14)8(3)6-9;1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16;1-6(2)11(16)15-7-3-4-8(10(13)14)9(12)5-7;1-6(2)11(16)13-7-3-4-8-9(5-7)14-15-10(8)12;1-6(2)11(15)13-7-3-4-8-9(5-7)16-14-10(8)12;1-6(2)10(15)14-7-3-4-8(9(11)12)13-5-7/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,15,16);3-7H,1-2H3,(H,16,17)(H2,13,14,15);4-7H,1-3H3,(H3,13,14)(H,15,16);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-6H,1-2H3,(H3,13,14)(H,15,16);3-6H,1-2H3,(H,13,16)(H3,12,14,15);3-6H,1-2H3,(H2,12,14)(H,13,15);3-6H,1-2H3,(H3,11,12)(H,14,15).
What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide has a molecular weight of 1769.57 g/mol, XLogP of 14.05, 19 rotatable bonds, 20 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-chlorophenyl)-2-methylpropanamide;N-(4-carbamimidoyl-3-methylphenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is sourced from PubChem (CID 161254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).