6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

C124H122Cl6FN25O13 — CID 162130953

IUPAC6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(C)c4)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)CC1.CN1CCNC(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C1.Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)nc3)ccc2Cl)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1)c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C26H26ClN5O3.C26H28ClN5O2.C25H23ClFN5O3.C24H23Cl2N5O2.C23H22ClN5O3/c1-17-4-3-5-19(14-17)25(34)30-23-15-21(7-8-22(23)27)29-26(35)20-6-9-24(28-16-20)32-12-10-31(11-13-32)18(2)33;1-16-5-4-6-19(11-16)25(33)31-23-12-21(8-9-22(23)27)30-26(34)20-7-10-24(28-13-20)32-14-17(2)29-18(3)15-32;1-16(33)31-10-12-32(13-11-31)23-9-6-17(15-28-23)24(34)29-18-7-8-20(26)22(14-18)30-25(35)19-4-2-3-5-21(19)27;1-31-10-9-27-22(14-31)20-8-5-16(13-28-20)24(33)29-18-6-7-19(26)21(12-18)30-23(32)15-3-2-4-17(25)11-15;24-19-5-4-17(12-20(19)28-23(32)15-2-1-9-25-13-15)27-22(31)16-3-6-21(26-14-16)29-10-7-18(30)8-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,29,35)(H,30,34);4-13,17-18,29H,14-15H2,1-3H3,(H,30,34)(H,31,33);2-9,14-15H,10-13H2,1H3,(H,29,34)(H,30,35);2-8,11-13,22,27H,9-10,14H2,1H3,(H,29,33)(H,30,32);1-6,9,12-14,18,30H,7-8,10-11H2,(H,27,31)(H,28,32)/t;17-,18+;;;
InChIKeyZIQQKAKQIOZMOP-HRYFYPFYSA-N
MW2402.22 g/mol
LogP21.06
Rot. Bonds25

About 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 162130953) has the molecular formula C124H122Cl6FN25O13 and a molecular weight of 2402.22 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
PubChem CID162130953
Molecular FormulaC124H122Cl6FN25O13
Molecular Weight2402.22 g/mol
Exact Mass2397.78
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(C)c4)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)CC1.CN1CCNC(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C1.Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)nc3)ccc2Cl)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1)c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C26H26ClN5O3.C26H28ClN5O2.C25H23ClFN5O3.C24H23Cl2N5O2.C23H22ClN5O3/c1-17-4-3-5-19(14-17)25(34)30-23-15-21(7-8-22(23)27)29-26(35)20-6-9-24(28-16-20)32-12-10-31(11-13-32)18(2)33;1-16-5-4-6-19(11-16)25(33)31-23-12-21(8-9-22(23)27)30-26(34)20-7-10-24(28-13-20)32-14-17(2)29-18(3)15-32;1-16(33)31-10-12-32(13-11-31)23-9-6-17(15-28-23)24(34)29-18-7-8-20(26)22(14-18)30-25(35)19-4-2-3-5-21(19)27;1-31-10-9-27-22(14-31)20-8-5-16(13-28-20)24(33)29-18-6-7-19(26)21(12-18)30-23(32)15-3-2-4-17(25)11-15;24-19-5-4-17(12-20(19)28-23(32)15-2-1-9-25-13-15)27-22(31)16-3-6-21(26-14-16)29-10-7-18(30)8-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,29,35)(H,30,34);4-13,17-18,29H,14-15H2,1-3H3,(H,30,34)(H,31,33);2-9,14-15H,10-13H2,1H3,(H,29,34)(H,30,35);2-8,11-13,22,27H,9-10,14H2,1H3,(H,29,33)(H,30,32);1-6,9,12-14,18,30H,7-8,10-11H2,(H,27,31)(H,28,32)/t;17-,18+;;;
InChIKeyZIQQKAKQIOZMOP-HRYFYPFYSA-N
XLogP21.06
TPSA469.45 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002402.22
LogP ≤ 521.06
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Analyze 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[8-chloro-3-[3-[3-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-6-[(3-hydroxypyrrolidin-1-yl)methyl]-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-5-oxo-7-(3,3,3-trifluoropropyl)-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one
CID 155170920
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
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
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
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
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-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)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 158691212
6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-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)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 158937633
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-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-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide
CID 158952233
N-(3-benzamido-4-chlorophenyl)-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-morpholin-4-ylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159130032
N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
CID 159237465
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;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)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 159639738

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (CID 162130953) is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(C)c4)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)CC1.CN1CCNC(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C1.Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)nc3)ccc2Cl)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1)c1ccc(N2CCC(O)CC2)nc1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZIQQKAKQIOZMOP-HRYFYPFYSA-N. The full InChI is InChI=1S/C26H26ClN5O3.C26H28ClN5O2.C25H23ClFN5O3.C24H23Cl2N5O2.C23H22ClN5O3/c1-17-4-3-5-19(14-17)25(34)30-23-15-21(7-8-22(23)27)29-26(35)20-6-9-24(28-16-20)32-12-10-31(11-13-32)18(2)33;1-16-5-4-6-19(11-16)25(33)31-23-12-21(8-9-22(23)27)30-26(34)20-7-10-24(28-13-20)32-14-17(2)29-18(3)15-32;1-16(33)31-10-12-32(13-11-31)23-9-6-17(15-28-23)24(34)29-18-7-8-20(26)22(14-18)30-25(35)19-4-2-3-5-21(19)27;1-31-10-9-27-22(14-31)20-8-5-16(13-28-20)24(33)29-18-6-7-19(26)21(12-18)30-23(32)15-3-2-4-17(25)11-15;24-19-5-4-17(12-20(19)28-23(32)15-2-1-9-25-13-15)27-22(31)16-3-6-21(26-14-16)29-10-7-18(30)8-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,29,35)(H,30,34);4-13,17-18,29H,14-15H2,1-3H3,(H,30,34)(H,31,33);2-9,14-15H,10-13H2,1H3,(H,29,34)(H,30,35);2-8,11-13,22,27H,9-10,14H2,1H3,(H,29,33)(H,30,32);1-6,9,12-14,18,30H,7-8,10-11H2,(H,27,31)(H,28,32)/t;17-,18+;;;.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2402.22 g/mol, XLogP of 21.06, 25 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-methylpiperazin-2-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 162130953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).