N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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

C92H85Cl4F3N18O4 — CID 158198223

IUPACN-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
SMILESC[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(-c3ccccc3)cn2)c1
InChIInChI=1S/C25H17ClF3N3O.C23H24ClN5O.2C22H22ClN5O/c1-15-19(9-12-23(31-15)25(27,28)29)24(33)32-18-8-10-21(26)20(13-18)22-11-7-17(14-30-22)16-5-3-2-4-6-16;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;2*1-15-14-28(11-10-24-15)21-8-5-16(13-26-21)22(29)27-17-6-7-19(23)18(12-17)20-4-2-3-9-25-20/h2-14H,1H3,(H,32,33);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30);2*2-9,12-13,15,24H,10-11,14H2,1H3,(H,27,29)/t;15-,16+;2*15-/m..10/s1
InChIKeyGAPILHMUWXHDIQ-WHVUHWDASA-N
MW1705.62 g/mol
LogP18.97
Rot. Bonds16

About N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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

N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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 (PubChem CID 158198223) has the molecular formula C92H85Cl4F3N18O4 and a molecular weight of 1705.62 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
PubChem CID158198223
Molecular FormulaC92H85Cl4F3N18O4
Molecular Weight1705.62 g/mol
Exact Mass1702.57
IUPAC NameN-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
SMILESC[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(-c3ccccc3)cn2)c1
InChIInChI=1S/C25H17ClF3N3O.C23H24ClN5O.2C22H22ClN5O/c1-15-19(9-12-23(31-15)25(27,28)29)24(33)32-18-8-10-21(26)20(13-18)22-11-7-17(14-30-22)16-5-3-2-4-6-16;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;2*1-15-14-28(11-10-24-15)21-8-5-16(13-26-21)22(29)27-17-6-7-19(23)18(12-17)20-4-2-3-9-25-20/h2-14H,1H3,(H,32,33);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30);2*2-9,12-13,15,24H,10-11,14H2,1H3,(H,27,29)/t;15-,16+;2*15-/m..10/s1
InChIKeyGAPILHMUWXHDIQ-WHVUHWDASA-N
XLogP18.97
TPSA265.33 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001705.62
LogP ≤ 518.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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 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-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 159805698
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-4-iodo-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170125191
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 58614726
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N,N-dimethylmethanamine oxide
CID 143198901
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-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
CID 160637642
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 158790649
methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 163543504
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
2-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170124545
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 157054989

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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?
The IUPAC name of N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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 (CID 158198223) is N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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 is C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(-c3ccccc3)cn2)c1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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?
The InChIKey is GAPILHMUWXHDIQ-WHVUHWDASA-N. The full InChI is InChI=1S/C25H17ClF3N3O.C23H24ClN5O.2C22H22ClN5O/c1-15-19(9-12-23(31-15)25(27,28)29)24(33)32-18-8-10-21(26)20(13-18)22-11-7-17(14-30-22)16-5-3-2-4-6-16;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;2*1-15-14-28(11-10-24-15)21-8-5-16(13-26-21)22(29)27-17-6-7-19(23)18(12-17)20-4-2-3-9-25-20/h2-14H,1H3,(H,32,33);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30);2*2-9,12-13,15,24H,10-11,14H2,1H3,(H,27,29)/t;15-,16+;2*15-/m..10/s1.
What are the key properties of N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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?
N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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 has a molecular weight of 1705.62 g/mol, XLogP of 18.97, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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 is sourced from PubChem (CID 158198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).