5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide

C97H92Cl8N18O9S — CID 158389774

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCOCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C25H25Cl2N5O2.C24H23Cl2N5O2.C24H22Cl2N4O3.C24H22Cl2N4O2S/c1-31-10-12-32(13-11-31)16-17-2-4-18(5-3-17)24(33)29-22-8-6-19(26)14-21(22)25(34)30-23-9-7-20(27)15-28-23;25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31;2*25-18-5-7-21(20(13-18)24(32)29-22-8-6-19(26)14-27-22)28-23(31)17-3-1-16(2-4-17)15-30-9-11-33-12-10-30/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)(H,28,30,34);1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33);2*1-8,13-14H,9-12,15H2,(H,28,31)(H,27,29,32)
InChIKeyGWUSOHBETUUVCP-UHFFFAOYSA-N
MW1969.61 g/mol
LogP19.11
Rot. Bonds24

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide (PubChem CID 158389774) has the molecular formula C97H92Cl8N18O9S and a molecular weight of 1969.61 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide
PubChem CID158389774
Molecular FormulaC97H92Cl8N18O9S
Molecular Weight1969.61 g/mol
Exact Mass1964.45
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCOCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C25H25Cl2N5O2.C24H23Cl2N5O2.C24H22Cl2N4O3.C24H22Cl2N4O2S/c1-31-10-12-32(13-11-31)16-17-2-4-18(5-3-17)24(33)29-22-8-6-19(26)14-21(22)25(34)30-23-9-7-20(27)15-28-23;25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31;2*25-18-5-7-21(20(13-18)24(32)29-22-8-6-19(26)14-27-22)28-23(31)17-3-1-16(2-4-17)15-30-9-11-33-12-10-30/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)(H,28,30,34);1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33);2*1-8,13-14H,9-12,15H2,(H,28,31)(H,27,29,32)
InChIKeyGWUSOHBETUUVCP-UHFFFAOYSA-N
XLogP19.11
TPSA321.82 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001969.61
LogP ≤ 519.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-morpholin-4-ylmethyl-benzoylamino)-benzamide
CID 18727841
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-morpholin-4-ylphenyl)benzoyl]amino]benzamide
CID 44386633
(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 158866719
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
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
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine
CID 160455283
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine
CID 160616662
(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 162125293
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 18727859
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 18727860
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 71132802
bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide);bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide)
CID 90696699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide (CID 158389774) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCOCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is GWUSOHBETUUVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O2.C24H23Cl2N5O2.C24H22Cl2N4O3.C24H22Cl2N4O2S/c1-31-10-12-32(13-11-31)16-17-2-4-18(5-3-17)24(33)29-22-8-6-19(26)14-21(22)25(34)30-23-9-7-20(27)15-28-23;25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31;2*25-18-5-7-21(20(13-18)24(32)29-22-8-6-19(26)14-27-22)28-23(31)17-3-1-16(2-4-17)15-30-9-11-33-12-10-30/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)(H,28,30,34);1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33);2*1-8,13-14H,9-12,15H2,(H,28,31)(H,27,29,32).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 1969.61 g/mol, XLogP of 19.11, 24 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 158389774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).