6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide

C19H19ClN4O3 — CID 109097056

IUPAC6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C19H19ClN4O3/c1-13(25)23-9-11-24(12-10-23)19(27)17-4-2-3-16(22-17)18(26)21-15-7-5-14(20)6-8-15/h2-8H,9-12H2,1H3,(H,21,26)
InChIKeyVGPFUYMLUFEVDA-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.29
Rot. Bonds3

About 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide

6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide (PubChem CID 109097056) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
PubChem CID109097056
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C19H19ClN4O3/c1-13(25)23-9-11-24(12-10-23)19(27)17-4-2-3-16(22-17)18(26)21-15-7-5-14(20)6-8-15/h2-8H,9-12H2,1H3,(H,21,26)
InChIKeyVGPFUYMLUFEVDA-UHFFFAOYSA-N
XLogP2.29
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 166213729
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109099901
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
N-(3,4-difluorophenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095552
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096766
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide (CID 109097056) is 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The InChIKey is VGPFUYMLUFEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-13(25)23-9-11-24(12-10-23)19(27)17-4-2-3-16(22-17)18(26)21-15-7-5-14(20)6-8-15/h2-8H,9-12H2,1H3,(H,21,26).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109097056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).