6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide

C24H23Cl2N5O2 — CID 69263012

IUPAC6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(Cl)cc4)c3)cn2)CC1
InChIInChI=1S/C24H23Cl2N5O2/c1-16(32)30-10-12-31(13-11-30)23-9-2-17(15-27-23)24(33)29-20-7-8-21(26)22(14-20)28-19-5-3-18(25)4-6-19/h2-9,14-15,28H,10-13H2,1H3,(H,29,33)
InChIKeyITDPBFNSHVVFCY-UHFFFAOYSA-N
MW484.39 g/mol
LogP5.05
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide (PubChem CID 69263012) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
PubChem CID69263012
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(Cl)cc4)c3)cn2)CC1
InChIInChI=1S/C24H23Cl2N5O2/c1-16(32)30-10-12-31(13-11-30)23-9-2-17(15-27-23)24(33)29-20-7-8-21(26)22(14-20)28-19-5-3-18(25)4-6-19/h2-9,14-15,28H,10-13H2,1H3,(H,29,33)
InChIKeyITDPBFNSHVVFCY-UHFFFAOYSA-N
XLogP5.05
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
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5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
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4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
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CID 109154932
4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
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2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide (CID 69263012) is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(Cl)cc4)c3)cn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide?
The InChIKey is ITDPBFNSHVVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-16(32)30-10-12-31(13-11-30)23-9-2-17(15-27-23)24(33)29-20-7-8-21(26)22(14-20)28-19-5-3-18(25)4-6-19/h2-9,14-15,28H,10-13H2,1H3,(H,29,33).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 5.05, 5 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-(4-chloroanilino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 69263012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).