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

C21H24N4O4 — CID 109097061

IUPAC6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C21H24N4O4/c1-3-29-17-9-7-16(8-10-17)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)
InChIKeyAAMDGLJWTIMBQB-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.04
Rot. Bonds5

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

6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109097061) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109097061
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C21H24N4O4/c1-3-29-17-9-7-16(8-10-17)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)
InChIKeyAAMDGLJWTIMBQB-UHFFFAOYSA-N
XLogP2.04
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-chlorophenyl)pyridine-2-carboxamide
CID 109097056
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
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
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 109097061) is 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)n2)cc1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is AAMDGLJWTIMBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-3-29-17-9-7-16(8-10-17)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-ethoxyphenyl)pyridine-2-carboxamide?
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109097061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).