6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide

C18H19ClN4O2 — CID 109155130

IUPAC6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-13(24)22-7-9-23(10-8-22)17-6-5-14(12-20-17)18(25)21-16-4-2-3-15(19)11-16/h2-6,11-12H,7-10H2,1H3,(H,21,25)
InChIKeyUJSFIECRPWDNOI-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.66
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide (PubChem CID 109155130) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
PubChem CID109155130
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-13(24)22-7-9-23(10-8-22)17-6-5-14(12-20-17)18(25)21-16-4-2-3-15(19)11-16/h2-6,11-12H,7-10H2,1H3,(H,21,25)
InChIKeyUJSFIECRPWDNOI-UHFFFAOYSA-N
XLogP2.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094502
5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
CID 109279284
(3aS,6aR)-2-[5-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063358

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide (CID 109155130) is 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is UJSFIECRPWDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13(24)22-7-9-23(10-8-22)17-6-5-14(12-20-17)18(25)21-16-4-2-3-15(19)11-16/h2-6,11-12H,7-10H2,1H3,(H,21,25).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).