N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

C83H76Cl4F3N17O5 — CID 160594666

IUPACN-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H22ClN5O.C21H19ClN4O2.C21H21ClN4O.C19H14ClF3N4O/c1-27-10-12-28(13-11-27)21-8-5-16(15-25-21)22(29)26-17-6-7-19(23)18(14-17)20-4-2-3-9-24-20;22-18-6-5-16(13-17(18)19-3-1-2-8-23-19)25-21(27)15-4-7-20(24-14-15)26-9-11-28-12-10-26;1-14(2)12-24-20-9-6-15(13-25-20)21(27)26-16-7-8-18(22)17(11-16)19-5-3-4-10-23-19;1-11-13(6-8-16(25-11)19(21,22)23)18(28)26-12-5-7-14(20)15(10-12)27-17-4-2-3-9-24-17/h2-9,14-15H,10-13H2,1H3,(H,26,29);1-8,13-14H,9-12H2,(H,25,27);3-11,13-14H,12H2,1-2H3,(H,24,25)(H,26,27);2-10H,1H3,(H,24,27)(H,26,28)
InChIKeyRDLXMUXZSRBMFL-UHFFFAOYSA-N
MW1590.44 g/mol
LogP18.26
Rot. Bonds18

About N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 160594666) has the molecular formula C83H76Cl4F3N17O5 and a molecular weight of 1590.44 g/mol. Its IUPAC name is N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID160594666
Molecular FormulaC83H76Cl4F3N17O5
Molecular Weight1590.44 g/mol
Exact Mass1587.49
IUPAC NameN-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H22ClN5O.C21H19ClN4O2.C21H21ClN4O.C19H14ClF3N4O/c1-27-10-12-28(13-11-27)21-8-5-16(15-25-21)22(29)26-17-6-7-19(23)18(14-17)20-4-2-3-9-24-20;22-18-6-5-16(13-17(18)19-3-1-2-8-23-19)25-21(27)15-4-7-20(24-14-15)26-9-11-28-12-10-26;1-14(2)12-24-20-9-6-15(13-25-20)21(27)26-16-7-8-18(22)17(11-16)19-5-3-4-10-23-19;1-11-13(6-8-16(25-11)19(21,22)23)18(28)26-12-5-7-14(20)15(10-12)27-17-4-2-3-9-24-17/h2-9,14-15H,10-13H2,1H3,(H,26,29);1-8,13-14H,9-12H2,(H,25,27);3-11,13-14H,12H2,1-2H3,(H,24,25)(H,26,27);2-10H,1H3,(H,24,27)(H,26,28)
InChIKeyRDLXMUXZSRBMFL-UHFFFAOYSA-N
XLogP18.26
TPSA262.53 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001590.44
LogP ≤ 518.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide with MolForge

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Related Compounds

4-chloro-N-(3-fluoro-5-morpholinophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrid-3-ylcarbonylamino]benzamide
CID 22636123
N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide;N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 87671281
N-[3-[[4-[3-[3-benzamido-2-chloro-5-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-1,2,4-triazol-1-yl]benzoyl]amino]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 143465753
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
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)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)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 157269289
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)-6-ethylpyridine-3-carboxamide
CID 157575581
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);4-morpholin-4-ylaniline
CID 157629303
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide
CID 157743106
2-chloro-4-(morpholine-4-carbonyl)-N-(3-quinazolin-4-ylphenyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide;2-methyl-N-(3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-morpholin-4-yl-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide;6-piperazin-1-yl-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide
CID 157915802
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 158055107

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 160594666) is N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is CC(C)CNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is RDLXMUXZSRBMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O.C21H19ClN4O2.C21H21ClN4O.C19H14ClF3N4O/c1-27-10-12-28(13-11-27)21-8-5-16(15-25-21)22(29)26-17-6-7-19(23)18(14-17)20-4-2-3-9-24-20;22-18-6-5-16(13-17(18)19-3-1-2-8-23-19)25-21(27)15-4-7-20(24-14-15)26-9-11-28-12-10-26;1-14(2)12-24-20-9-6-15(13-25-20)21(27)26-16-7-8-18(22)17(11-16)19-5-3-4-10-23-19;1-11-13(6-8-16(25-11)19(21,22)23)18(28)26-12-5-7-14(20)15(10-12)27-17-4-2-3-9-24-17/h2-9,14-15H,10-13H2,1H3,(H,26,29);1-8,13-14H,9-12H2,(H,25,27);3-11,13-14H,12H2,1-2H3,(H,24,25)(H,26,27);2-10H,1H3,(H,24,27)(H,26,28).
What are the key properties of N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 1590.44 g/mol, XLogP of 18.26, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(pyridin-2-ylamino)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 160594666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).