3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

C148H152F16N20O12 — CID 158473571

IUPAC3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1
InChIInChI=1S/C24H28N2O3.C23H23F3N4O.C22H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-5-29-23(28)21-18-8-6-7-9-19(18)25-22(21)26-20(27)15-12-16-10-13-17(14-11-16)24(2,3)4;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-5-16(21(28-19)29-12-2-1-3-13-29)6-9-20(30)27-17-7-4-15-10-11-26-18(15)14-17;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h6-11,13-14,25H,5,12,15H2,1-4H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4-5,7-8,10-11,14,26H,1-3,6,9,12-13H2,(H,27,30);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24)
InChIKeyHGQOWSRIQWLBPY-UHFFFAOYSA-N
MW2706.94 g/mol
LogP33.49
Rot. Bonds33

About 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (PubChem CID 158473571) has the molecular formula C148H152F16N20O12 and a molecular weight of 2706.94 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.

Molecular Properties

Compound Name3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
PubChem CID158473571
Molecular FormulaC148H152F16N20O12
Molecular Weight2706.94 g/mol
Exact Mass2705.16
IUPAC Name3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1
InChIInChI=1S/C24H28N2O3.C23H23F3N4O.C22H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-5-29-23(28)21-18-8-6-7-9-19(18)25-22(21)26-20(27)15-12-16-10-13-17(14-11-16)24(2,3)4;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-5-16(21(28-19)29-12-2-1-3-13-29)6-9-20(30)27-17-7-4-15-10-11-26-18(15)14-17;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h6-11,13-14,25H,5,12,15H2,1-4H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4-5,7-8,10-11,14,26H,1-3,6,9,12-13H2,(H,27,30);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24)
InChIKeyHGQOWSRIQWLBPY-UHFFFAOYSA-N
XLogP33.49
TPSA414.89 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002706.94
LogP ≤ 533.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide with MolForge

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Related Compounds

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
CID 157269623
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 157316182
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide
CID 157888321
3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 157910321
3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 158358233
tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide
CID 158453835
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159127031
ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide
CID 159148111
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 159170657
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide
CID 159182209
tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159203453

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (CID 158473571) is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.
What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1.
What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
The InChIKey is HGQOWSRIQWLBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.C23H23F3N4O.C22H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-5-29-23(28)21-18-8-6-7-9-19(18)25-22(21)26-20(27)15-12-16-10-13-17(14-11-16)24(2,3)4;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-5-16(21(28-19)29-12-2-1-3-13-29)6-9-20(30)27-17-7-4-15-10-11-26-18(15)14-17;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h6-11,13-14,25H,5,12,15H2,1-4H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4-5,7-8,10-11,14,26H,1-3,6,9,12-13H2,(H,27,30);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24).
What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide has a molecular weight of 2706.94 g/mol, XLogP of 33.49, 33 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is sourced from PubChem (CID 158473571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).