4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide

C93H88Cl4N18O6 — CID 157221457

IUPAC4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
SMILESCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C25H25ClN4O2.C23H24ClN5O.C23H18ClN5O.C22H21ClN4O2/c1-18(31)30-14-12-29(13-15-30)17-19-5-7-20(8-6-19)25(32)28-21-9-10-23(26)22(16-21)24-4-2-3-11-27-24;1-28-10-12-29(13-11-28)16-19-6-5-17(15-26-19)23(30)27-18-7-8-21(24)20(14-18)22-4-2-3-9-25-22;24-20-10-9-18(14-19(20)21-4-1-2-11-25-21)29-22(30)17-7-5-16(6-8-17)15-28-23-26-12-3-13-27-23;23-20-7-6-17(13-19(20)21-3-1-2-8-24-21)26-22(28)16-4-5-18(25-14-16)15-27-9-11-29-12-10-27/h2-11,16H,12-15,17H2,1H3,(H,28,32);2-9,14-15H,10-13,16H2,1H3,(H,27,30);1-14H,15H2,(H,29,30)(H,26,27,28);1-8,13-14H,9-12,15H2,(H,26,28)
InChIKeyATASVTMCQXMVHC-UHFFFAOYSA-N
MW1695.66 g/mol
LogP17.05
Rot. Bonds21

About 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide

4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide (PubChem CID 157221457) has the molecular formula C93H88Cl4N18O6 and a molecular weight of 1695.66 g/mol. Its IUPAC name is 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
PubChem CID157221457
Molecular FormulaC93H88Cl4N18O6
Molecular Weight1695.66 g/mol
Exact Mass1692.59
IUPAC Name4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
SMILESCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C25H25ClN4O2.C23H24ClN5O.C23H18ClN5O.C22H21ClN4O2/c1-18(31)30-14-12-29(13-15-30)17-19-5-7-20(8-6-19)25(32)28-21-9-10-23(26)22(16-21)24-4-2-3-11-27-24;1-28-10-12-29(13-11-28)16-19-6-5-17(15-26-19)23(30)27-18-7-8-21(24)20(14-18)22-4-2-3-9-25-22;24-20-10-9-18(14-19(20)21-4-1-2-11-25-21)29-22(30)17-7-5-16(6-8-17)15-28-23-26-12-3-13-27-23;23-20-7-6-17(13-19(20)21-3-1-2-8-24-21)26-22(28)16-4-5-18(25-14-16)15-27-9-11-29-12-10-27/h2-11,16H,12-15,17H2,1H3,(H,28,32);2-9,14-15H,10-13,16H2,1H3,(H,27,30);1-14H,15H2,(H,29,30)(H,26,27,28);1-8,13-14H,9-12,15H2,(H,26,28)
InChIKeyATASVTMCQXMVHC-UHFFFAOYSA-N
XLogP17.05
TPSA274.05 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.66
LogP ≤ 517.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide with MolForge

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Related Compounds

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CID 71023945
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
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N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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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
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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
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
The IUPAC name of 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide (CID 157221457) is 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide is CC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNc2ncccn2)cc1.
What is the InChIKey of 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
The InChIKey is ATASVTMCQXMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C23H24ClN5O.C23H18ClN5O.C22H21ClN4O2/c1-18(31)30-14-12-29(13-15-30)17-19-5-7-20(8-6-19)25(32)28-21-9-10-23(26)22(16-21)24-4-2-3-11-27-24;1-28-10-12-29(13-11-28)16-19-6-5-17(15-26-19)23(30)27-18-7-8-21(24)20(14-18)22-4-2-3-9-25-22;24-20-10-9-18(14-19(20)21-4-1-2-11-25-21)29-22(30)17-7-5-16(6-8-17)15-28-23-26-12-3-13-27-23;23-20-7-6-17(13-19(20)21-3-1-2-8-24-21)26-22(28)16-4-5-18(25-14-16)15-27-9-11-29-12-10-27/h2-11,16H,12-15,17H2,1H3,(H,28,32);2-9,14-15H,10-13,16H2,1H3,(H,27,30);1-14H,15H2,(H,29,30)(H,26,27,28);1-8,13-14H,9-12,15H2,(H,26,28).
What are the key properties of 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide has a molecular weight of 1695.66 g/mol, XLogP of 17.05, 21 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide is sourced from PubChem (CID 157221457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).