3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide

C136H173N23O12 — CID 158336318

IUPAC3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(CCCN(C)C)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCC(N4CCCC4)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(CC4CC4)CC3)nc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc(NC(=O)C3CC3)c2C)c(=O)[nH]1
InChIInChI=1S/2C36H46N6O3.C32H40N6O3.C32H41N5O3/c1-6-42(36(45)27-9-10-27)32-19-28(18-30(24(32)4)34(43)37-20-31-22(2)17-23(3)38-35(31)44)29-11-12-33(39-25(29)5)41-15-13-40(14-16-41)21-26-7-8-26;1-5-42(36(45)26-8-9-26)32-20-28(19-30(25(32)4)34(43)38-22-31-23(2)18-24(3)39-35(31)44)27-10-11-33(37-21-27)41-16-12-29(13-17-41)40-14-6-7-15-40;1-19-14-20(2)35-32(41)27(19)18-34-31(40)26-15-24(16-28(21(26)3)36-30(39)22-6-7-22)23-8-9-29(33-17-23)38-12-10-25(11-13-38)37(4)5;1-7-37(32(40)23-10-11-23)29-17-25(24-12-13-26(33-18-24)9-8-14-36(5)6)16-27(22(29)4)30(38)34-19-28-20(2)15-21(3)35-31(28)39/h11-12,17-19,26-27H,6-10,13-16,20-21H2,1-5H3,(H,37,43)(H,38,44);10-11,18-21,26,29H,5-9,12-17,22H2,1-4H3,(H,38,43)(H,39,44);8-9,14-17,22,25H,6-7,10-13,18H2,1-5H3,(H,34,40)(H,35,41)(H,36,39);12-13,15-18,23H,7-11,14,19H2,1-6H3,(H,34,38)(H,35,39)
InChIKeyGQPXEVQJLBHAAH-UHFFFAOYSA-N
MW2322.03 g/mol
LogP18.74
Rot. Bonds38

About 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide

3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide (PubChem CID 158336318) has the molecular formula C136H173N23O12 and a molecular weight of 2322.03 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide
PubChem CID158336318
Molecular FormulaC136H173N23O12
Molecular Weight2322.03 g/mol
Exact Mass2320.36
IUPAC Name3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(CCCN(C)C)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCC(N4CCCC4)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(CC4CC4)CC3)nc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc(NC(=O)C3CC3)c2C)c(=O)[nH]1
InChIInChI=1S/2C36H46N6O3.C32H40N6O3.C32H41N5O3/c1-6-42(36(45)27-9-10-27)32-19-28(18-30(24(32)4)34(43)37-20-31-22(2)17-23(3)38-35(31)44)29-11-12-33(39-25(29)5)41-15-13-40(14-16-41)21-26-7-8-26;1-5-42(36(45)26-8-9-26)32-20-28(19-30(25(32)4)34(43)38-22-31-23(2)18-24(3)39-35(31)44)27-10-11-33(37-21-27)41-16-12-29(13-17-41)40-14-6-7-15-40;1-19-14-20(2)35-32(41)27(19)18-34-31(40)26-15-24(16-28(21(26)3)36-30(39)22-6-7-22)23-8-9-29(33-17-23)38-12-10-25(11-13-38)37(4)5;1-7-37(32(40)23-10-11-23)29-17-25(24-12-13-26(33-18-24)9-8-14-36(5)6)16-27(22(29)4)30(38)34-19-28-20(2)15-21(3)35-31(28)39/h11-12,17-19,26-27H,6-10,13-16,20-21H2,1-5H3,(H,37,43)(H,38,44);10-11,18-21,26,29H,5-9,12-17,22H2,1-4H3,(H,38,43)(H,39,44);8-9,14-17,22,25H,6-7,10-13,18H2,1-5H3,(H,34,40)(H,35,41)(H,36,39);12-13,15-18,23H,7-11,14,19H2,1-6H3,(H,34,38)(H,35,39)
InChIKeyGQPXEVQJLBHAAH-UHFFFAOYSA-N
XLogP18.74
TPSA412.11 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.03
LogP ≤ 518.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 159127685
3-[cyclopropanecarbonyl(ethyl)amino]-N-[[4-[[2-[[5-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylphenyl]-ethylcarbamoyl]cyclopropyl]methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-5-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 135249083
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide
CID 90143771
N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide
CID 164620991
3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-piperazin-1-ylphenyl)benzamide
CID 164611825
tert-butyl (2R,6R)-4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]anilino]-2,6-dimethylpiperidine-1-carboxylate
CID 118424511
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]benzamide
CID 156626813
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide
CID 139513509
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide
CID 146604560
tert-butyl (2R)-4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]anilino]-2,6-dimethylpiperidine-1-carboxylate
CID 155215802
tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]anilino]-2,6-dimethylpiperidine-1-carboxylate
CID 123706284

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide (CID 158336318) is 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide is CCN(C(=O)C1CC1)c1cc(-c2ccc(CCCN(C)C)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCC(N4CCCC4)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(CC4CC4)CC3)nc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc(NC(=O)C3CC3)c2C)c(=O)[nH]1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is GQPXEVQJLBHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H46N6O3.C32H40N6O3.C32H41N5O3/c1-6-42(36(45)27-9-10-27)32-19-28(18-30(24(32)4)34(43)37-20-31-22(2)17-23(3)38-35(31)44)29-11-12-33(39-25(29)5)41-15-13-40(14-16-41)21-26-7-8-26;1-5-42(36(45)26-8-9-26)32-20-28(19-30(25(32)4)34(43)38-22-31-23(2)18-24(3)39-35(31)44)27-10-11-33(37-21-27)41-16-12-29(13-17-41)40-14-6-7-15-40;1-19-14-20(2)35-32(41)27(19)18-34-31(40)26-15-24(16-28(21(26)3)36-30(39)22-6-7-22)23-8-9-29(33-17-23)38-12-10-25(11-13-38)37(4)5;1-7-37(32(40)23-10-11-23)29-17-25(24-12-13-26(33-18-24)9-8-14-36(5)6)16-27(22(29)4)30(38)34-19-28-20(2)15-21(3)35-31(28)39/h11-12,17-19,26-27H,6-10,13-16,20-21H2,1-5H3,(H,37,43)(H,38,44);10-11,18-21,26,29H,5-9,12-17,22H2,1-4H3,(H,38,43)(H,39,44);8-9,14-17,22,25H,6-7,10-13,18H2,1-5H3,(H,34,40)(H,35,41)(H,36,39);12-13,15-18,23H,7-11,14,19H2,1-6H3,(H,34,38)(H,35,39).
What are the key properties of 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide?
3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 2322.03 g/mol, XLogP of 18.74, 38 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 158336318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).