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

C142H125Cl8F7N28O14S — CID 157363181

IUPAC6-(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
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)C[C@H](C)N1.Cc1cc(C(F)(F)F)ncc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3csnn3)cc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCN(CCO)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C25H25Cl2N5O3.C25H23ClFN5O3.C25H26ClN5O2.C23H21Cl2N5O2.C23H15ClF3N5O2S.C21H15ClF3N3O2/c26-19-3-1-2-17(14-19)24(34)30-22-15-20(5-6-21(22)27)29-25(35)18-4-7-23(28-16-18)32-10-8-31(9-11-32)12-13-33;1-16(33)31-10-12-32(13-11-31)23-9-4-18(15-28-23)25(35)29-20-7-8-21(26)22(14-20)30-24(34)17-2-5-19(27)6-3-17;1-16-14-31(15-17(2)28-16)23-11-8-19(13-27-23)25(33)29-20-9-10-21(26)22(12-20)30-24(32)18-6-4-3-5-7-18;24-17-3-1-2-15(12-17)22(31)29-20-13-18(5-6-19(20)25)28-23(32)16-4-7-21(27-14-16)30-10-8-26-9-11-30;1-12-16(7-9-20(28-12)23(25,26)27)22(34)29-15-6-8-17(24)18(10-15)30-21(33)14-4-2-13(3-5-14)19-11-35-32-31-19;1-12-9-18(21(23,24)25)26-11-15(12)20(30)27-14-7-8-16(22)17(10-14)28-19(29)13-5-3-2-4-6-13/h1-7,14-16,33H,8-13H2,(H,29,35)(H,30,34);2-9,14-15H,10-13H2,1H3,(H,29,35)(H,30,34);3-13,16-17,28H,14-15H2,1-2H3,(H,29,33)(H,30,32);1-7,12-14,26H,8-11H2,(H,28,32)(H,29,31);2-11H,1H3,(H,29,34)(H,30,33);2-11H,1H3,(H,27,30)(H,28,29)/t;;16-,17+;;;
InChIKeyBIWJUVDOBAAAHE-QGOHKLPHSA-N
MW2896.42 g/mol
LogP28.44
Rot. Bonds31

About 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

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 (PubChem CID 157363181) has the molecular formula C142H125Cl8F7N28O14S and a molecular weight of 2896.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157363181
Molecular FormulaC142H125Cl8F7N28O14S
Molecular Weight2896.42 g/mol
Exact Mass2890.70
IUPAC Name6-(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
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)C[C@H](C)N1.Cc1cc(C(F)(F)F)ncc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3csnn3)cc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCN(CCO)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C25H25Cl2N5O3.C25H23ClFN5O3.C25H26ClN5O2.C23H21Cl2N5O2.C23H15ClF3N5O2S.C21H15ClF3N3O2/c26-19-3-1-2-17(14-19)24(34)30-22-15-20(5-6-21(22)27)29-25(35)18-4-7-23(28-16-18)32-10-8-31(9-11-32)12-13-33;1-16(33)31-10-12-32(13-11-31)23-9-4-18(15-28-23)25(35)29-20-7-8-21(26)22(14-20)30-24(34)17-2-5-19(27)6-3-17;1-16-14-31(15-17(2)28-16)23-11-8-19(13-27-23)25(33)29-20-9-10-21(26)22(12-20)30-24(32)18-6-4-3-5-7-18;24-17-3-1-2-15(12-17)22(31)29-20-13-18(5-6-19(20)25)28-23(32)16-4-7-21(27-14-16)30-10-8-26-9-11-30;1-12-16(7-9-20(28-12)23(25,26)27)22(34)29-15-6-8-17(24)18(10-15)30-21(33)14-4-2-13(3-5-14)19-11-35-32-31-19;1-12-9-18(21(23,24)25)26-11-15(12)20(30)27-14-7-8-16(22)17(10-14)28-19(29)13-5-3-2-4-6-13/h1-7,14-16,33H,8-13H2,(H,29,35)(H,30,34);2-9,14-15H,10-13H2,1H3,(H,29,35)(H,30,34);3-13,16-17,28H,14-15H2,1-2H3,(H,29,33)(H,30,32);1-7,12-14,26H,8-11H2,(H,28,32)(H,29,31);2-11H,1H3,(H,29,34)(H,30,33);2-11H,1H3,(H,27,30)(H,28,29)/t;;16-,17+;;;
InChIKeyBIWJUVDOBAAAHE-QGOHKLPHSA-N
XLogP28.44
TPSA533.12 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002896.42
LogP ≤ 528.44
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)benzamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-(3,5-dimethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-piperazin-1-ylpyridine-3-carboxamide;N-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 158345271
6-(4-acetylpiperazin-1-yl)-N-(3-benzamido-4-chlorophenyl)pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-morpholin-4-ylbenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159763280
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
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-chloro-4-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-2-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 160013568
N-(3-benzamido-4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3,4-difluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-2-carbonylamino)phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 160393503
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 161689000
N-(3-benzamido-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzamide;N-(3-benzamido-4-chlorophenyl)-6-(piperidin-1-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(1-methylpiperidin-4-yl)amino]methyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 158144147
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 158908290
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cn2)CC1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)C[C@H](C)N1.Cc1cc(C(F)(F)F)ncc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3csnn3)cc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCN(CCO)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 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?
The InChIKey is BIWJUVDOBAAAHE-QGOHKLPHSA-N. The full InChI is InChI=1S/C25H25Cl2N5O3.C25H23ClFN5O3.C25H26ClN5O2.C23H21Cl2N5O2.C23H15ClF3N5O2S.C21H15ClF3N3O2/c26-19-3-1-2-17(14-19)24(34)30-22-15-20(5-6-21(22)27)29-25(35)18-4-7-23(28-16-18)32-10-8-31(9-11-32)12-13-33;1-16(33)31-10-12-32(13-11-31)23-9-4-18(15-28-23)25(35)29-20-7-8-21(26)22(14-20)30-24(34)17-2-5-19(27)6-3-17;1-16-14-31(15-17(2)28-16)23-11-8-19(13-27-23)25(33)29-20-9-10-21(26)22(12-20)30-24(32)18-6-4-3-5-7-18;24-17-3-1-2-15(12-17)22(31)29-20-13-18(5-6-19(20)25)28-23(32)16-4-7-21(27-14-16)30-10-8-26-9-11-30;1-12-16(7-9-20(28-12)23(25,26)27)22(34)29-15-6-8-17(24)18(10-15)30-21(33)14-4-2-13(3-5-14)19-11-35-32-31-19;1-12-9-18(21(23,24)25)26-11-15(12)20(30)27-14-7-8-16(22)17(10-14)28-19(29)13-5-3-2-4-6-13/h1-7,14-16,33H,8-13H2,(H,29,35)(H,30,34);2-9,14-15H,10-13H2,1H3,(H,29,35)(H,30,34);3-13,16-17,28H,14-15H2,1-2H3,(H,29,33)(H,30,32);1-7,12-14,26H,8-11H2,(H,28,32)(H,29,31);2-11H,1H3,(H,29,34)(H,30,33);2-11H,1H3,(H,27,30)(H,28,29)/t;;16-,17+;;;.
What are the key properties of 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?
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 has a molecular weight of 2896.42 g/mol, XLogP of 28.44, 31 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157363181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).