N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide

C72H60Cl3N13O6 — CID 159520778

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C25H19ClN4O3.C24H17ClN4O2.C23H24ClN5O/c1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21/h2-15H,1H3,(H,29,31)(H,30,32);1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30)/t;;15-,16+
InChIKeyMBTPILGPCVFQNA-RZUMNXJISA-N
MW1309.72 g/mol
LogP14.85
Rot. Bonds15

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (PubChem CID 159520778) has the molecular formula C72H60Cl3N13O6 and a molecular weight of 1309.72 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
PubChem CID159520778
Molecular FormulaC72H60Cl3N13O6
Molecular Weight1309.72 g/mol
Exact Mass1307.39
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C25H19ClN4O3.C24H17ClN4O2.C23H24ClN5O/c1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21/h2-15H,1H3,(H,29,31)(H,30,32);1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30)/t;;15-,16+
InChIKeyMBTPILGPCVFQNA-RZUMNXJISA-N
XLogP14.85
TPSA247.34 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001309.72
LogP ≤ 514.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide 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

2-amino-3-[[1-(2-anilinoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methoxypyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylphenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 157150682
5-(6-chloro-5-fluoro-3-pyridinyl)-6-(3,3-dimethylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-chloro-5-fluoro-3-pyridinyl)-6-(3-ethylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylazetidin-1-yl)-5-(5-fluoro-6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylazetidin-1-yl)-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylazetidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157583406
N-(6-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-pyrimidin-4-ylbenzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;N-(6-methoxy-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;N-(2-methyl-4-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 157733649
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide
CID 160837883
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(6-pyrimidin-2-yloxy-3-pyridinyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 60056989
[5-[[4-[(2-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 69541081
[5-[[4-[(2-Ethylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 69541350
[5-Chloro-6-[(6-ethoxy-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone;[5-chloro-6-[methoxy(pyridin-3-yl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 87684259
1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 137438390
1-[6-[8-chloro-4-[3-[3-(8-chloroquinolin-6-yl)-7-(cyclopentylcarbamoylamino)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 155170984
1-[6-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-(cyclopentylcarbamoylamino)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 155171003
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 157099576

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (CID 159520778) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The InChIKey is MBTPILGPCVFQNA-RZUMNXJISA-N. The full InChI is InChI=1S/C25H19ClN4O3.C24H17ClN4O2.C23H24ClN5O/c1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21/h2-15H,1H3,(H,29,31)(H,30,32);1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30)/t;;15-,16+.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide has a molecular weight of 1309.72 g/mol, XLogP of 14.85, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 159520778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).