6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide

C31H27Cl2N5O3 — CID 66693391

IUPAC6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C31H27Cl2N5O3/c1-20(39)37-14-16-38(17-15-37)28-13-11-25(29(36-28)21-6-3-2-4-7-21)31(41)34-24-10-12-26(33)27(19-24)35-30(40)22-8-5-9-23(32)18-22/h2-13,18-19H,14-17H2,1H3,(H,34,41)(H,35,40)
InChIKeyUUNVGBQKCGSBMH-UHFFFAOYSA-N
MW588.50 g/mol
LogP6.23
Rot. Bonds6

About 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide (PubChem CID 66693391) has the molecular formula C31H27Cl2N5O3 and a molecular weight of 588.50 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide
PubChem CID66693391
Molecular FormulaC31H27Cl2N5O3
Molecular Weight588.50 g/mol
Exact Mass587.15
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C31H27Cl2N5O3/c1-20(39)37-14-16-38(17-15-37)28-13-11-25(29(36-28)21-6-3-2-4-7-21)31(41)34-24-10-12-26(33)27(19-24)35-30(40)22-8-5-9-23(32)18-22/h2-13,18-19H,14-17H2,1H3,(H,34,41)(H,35,40)
InChIKeyUUNVGBQKCGSBMH-UHFFFAOYSA-N
XLogP6.23
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.50
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
CID 148620198
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094502
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
3-chloro-N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 17358559
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
6-[(3-chlorobenzoyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 50783032
6-[(3-chlorobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784144
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide (CID 66693391) is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide?
The InChIKey is UUNVGBQKCGSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N5O3/c1-20(39)37-14-16-38(17-15-37)28-13-11-25(29(36-28)21-6-3-2-4-7-21)31(41)34-24-10-12-26(33)27(19-24)35-30(40)22-8-5-9-23(32)18-22/h2-13,18-19H,14-17H2,1H3,(H,34,41)(H,35,40).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide has a molecular weight of 588.50 g/mol, XLogP of 6.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 66693391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).