N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C127H122Cl5F6N23O13 — CID 159820358

IUPACN-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1.Cc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1)c1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCN(CCO)CC2)nc1
InChIInChI=1S/C28H29ClFN5O3.C27H25ClFN5O3.C26H28ClN5O2.C25H26ClN5O3.C21H14ClF4N3O2/c1-18(2)15-26(36)35-13-11-34(12-14-35)25-10-5-20(17-31-25)28(38)32-22-8-9-23(29)24(16-22)33-27(37)19-3-6-21(30)7-4-19;28-22-9-8-21(15-23(22)32-25(35)17-3-6-20(29)7-4-17)31-26(36)19-5-10-24(30-16-19)33-11-13-34(14-12-33)27(37)18-1-2-18;1-16-14-32(15-17(2)28-16)24-12-10-21(18(3)29-24)26(34)30-20-9-11-22(27)23(13-20)31-25(33)19-7-5-4-6-8-19;26-21-8-7-20(16-22(21)29-24(33)18-4-2-1-3-5-18)28-25(34)19-6-9-23(27-17-19)31-12-10-30(11-13-31)14-15-32;1-11-15(7-9-18(27-11)21(24,25)26)20(31)28-14-6-8-16(22)17(10-14)29-19(30)12-2-4-13(23)5-3-12/h3-10,16-18H,11-15H2,1-2H3,(H,32,38)(H,33,37);3-10,15-16,18H,1-2,11-14H2,(H,31,36)(H,32,35);4-13,16-17,28H,14-15H2,1-3H3,(H,30,34)(H,31,33);1-9,16-17,32H,10-15H2,(H,28,34)(H,29,33);2-10H,1H3,(H,28,31)(H,29,30)/t;;16-,17+;;
InChIKeyNMDQPITWDSGUEC-KVMWQEKXSA-N
MW2469.77 g/mol
LogP23.31
Rot. Bonds29

About N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159820358) has the molecular formula C127H122Cl5F6N23O13 and a molecular weight of 2469.77 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID159820358
Molecular FormulaC127H122Cl5F6N23O13
Molecular Weight2469.77 g/mol
Exact Mass2465.79
IUPAC NameN-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1.Cc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1)c1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCN(CCO)CC2)nc1
InChIInChI=1S/C28H29ClFN5O3.C27H25ClFN5O3.C26H28ClN5O2.C25H26ClN5O3.C21H14ClF4N3O2/c1-18(2)15-26(36)35-13-11-34(12-14-35)25-10-5-20(17-31-25)28(38)32-22-8-9-23(29)24(16-22)33-27(37)19-3-6-21(30)7-4-19;28-22-9-8-21(15-23(22)32-25(35)17-3-6-20(29)7-4-17)31-26(36)19-5-10-24(30-16-19)33-11-13-34(14-12-33)27(37)18-1-2-18;1-16-14-32(15-17(2)28-16)24-12-10-21(18(3)29-24)26(34)30-20-9-11-22(27)23(13-20)31-25(33)19-7-5-4-6-8-19;26-21-8-7-20(16-22(21)29-24(33)18-4-2-1-3-5-18)28-25(34)19-6-9-23(27-17-19)31-12-10-30(11-13-31)14-15-32;1-11-15(7-9-18(27-11)21(24,25)26)20(31)28-14-6-8-16(22)17(10-14)29-19(30)12-2-4-13(23)5-3-12/h3-10,16-18H,11-15H2,1-2H3,(H,32,38)(H,33,37);3-10,15-16,18H,1-2,11-14H2,(H,31,36)(H,32,35);4-13,16-17,28H,14-15H2,1-3H3,(H,30,34)(H,31,33);1-9,16-17,32H,10-15H2,(H,28,34)(H,29,33);2-10H,1H3,(H,28,31)(H,29,30)/t;;16-,17+;;
InChIKeyNMDQPITWDSGUEC-KVMWQEKXSA-N
XLogP23.31
TPSA444.53 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.77
LogP ≤ 523.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

(2R)-1-[6-chloro-1-[4-[(E)-3-[(3S)-4-[6-chloro-7-[5-(cyclopropylcarbamoyl)-2-fluorophenyl]-2-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2H-pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-3-oxoprop-1-enyl]-2,6-diethylphenyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-4-prop-2-enoylpiperazine-2-carboxylic acid
CID 146254688
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
1-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;1-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 157225509
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-piperazin-1-ylpyridine-3-carboxamide;N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157363181
3-amino-5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide;3-amino-5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethyl-6-methylpyrazine-2-carboxamide;3-amino-5-[(2R,5S)-4-[1-(2-amino-6-methylpyridine-3-carbonyl)piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-6-chloro-N-cyclopropylpyrazine-2-carboxamide;5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 157503839
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
(2R)-4-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;1-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;(2R)-2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 157625358
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
tris(N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide);6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide
CID 158060803

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 159820358) is N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1.Cc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1)c1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCN(CCO)CC2)nc1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NMDQPITWDSGUEC-KVMWQEKXSA-N. The full InChI is InChI=1S/C28H29ClFN5O3.C27H25ClFN5O3.C26H28ClN5O2.C25H26ClN5O3.C21H14ClF4N3O2/c1-18(2)15-26(36)35-13-11-34(12-14-35)25-10-5-20(17-31-25)28(38)32-22-8-9-23(29)24(16-22)33-27(37)19-3-6-21(30)7-4-19;28-22-9-8-21(15-23(22)32-25(35)17-3-6-20(29)7-4-17)31-26(36)19-5-10-24(30-16-19)33-11-13-34(14-12-33)27(37)18-1-2-18;1-16-14-32(15-17(2)28-16)24-12-10-21(18(3)29-24)26(34)30-20-9-11-22(27)23(13-20)31-25(33)19-7-5-4-6-8-19;26-21-8-7-20(16-22(21)29-24(33)18-4-2-1-3-5-18)28-25(34)19-6-9-23(27-17-19)31-12-10-30(11-13-31)14-15-32;1-11-15(7-9-18(27-11)21(24,25)26)20(31)28-14-6-8-16(22)17(10-14)29-19(30)12-2-4-13(23)5-3-12/h3-10,16-18H,11-15H2,1-2H3,(H,32,38)(H,33,37);3-10,15-16,18H,1-2,11-14H2,(H,31,36)(H,32,35);4-13,16-17,28H,14-15H2,1-3H3,(H,30,34)(H,31,33);1-9,16-17,32H,10-15H2,(H,28,34)(H,29,33);2-10H,1H3,(H,28,31)(H,29,30)/t;;16-,17+;;.
What are the key properties of N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 2469.77 g/mol, XLogP of 23.31, 29 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-chlorophenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).