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

C21H24N4O3 — CID 109097046

IUPAC6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C21H24N4O3/c1-3-16-7-9-17(10-8-16)22-20(27)18-5-4-6-19(23-18)21(28)25-13-11-24(12-14-25)15(2)26/h4-10H,3,11-14H2,1-2H3,(H,22,27)
InChIKeyYMJKJHZBBLFTDR-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.20
Rot. Bonds4

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

6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109097046) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
PubChem CID109097046
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C21H24N4O3/c1-3-16-7-9-17(10-8-16)22-20(27)18-5-4-6-19(23-18)21(28)25-13-11-24(12-14-25)15(2)26/h4-10H,3,11-14H2,1-2H3,(H,22,27)
InChIKeyYMJKJHZBBLFTDR-UHFFFAOYSA-N
XLogP2.20
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
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
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109084898
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093713
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
6-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096475

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide (CID 109097046) is 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is YMJKJHZBBLFTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-16-7-9-17(10-8-16)22-20(27)18-5-4-6-19(23-18)21(28)25-13-11-24(12-14-25)15(2)26/h4-10H,3,11-14H2,1-2H3,(H,22,27).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.20, 4 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-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109097046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).