6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide

C16H22N4O3 — CID 109093636

IUPAC6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)NC(C)C)n2)CC1
InChIInChI=1S/C16H22N4O3/c1-11(2)17-15(22)13-5-4-6-14(18-13)16(23)20-9-7-19(8-10-20)12(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,22)
InChIKeyBSMMFQRRAMZWES-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.52
Rot. Bonds3

About 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide

6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109093636) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109093636
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)NC(C)C)n2)CC1
InChIInChI=1S/C16H22N4O3/c1-11(2)17-15(22)13-5-4-6-14(18-13)16(23)20-9-7-19(8-10-20)12(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,22)
InChIKeyBSMMFQRRAMZWES-UHFFFAOYSA-N
XLogP0.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109094649
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-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
1-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066342
3-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066186

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide (CID 109093636) is 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cccc(C(=O)NC(C)C)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is BSMMFQRRAMZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)17-15(22)13-5-4-6-14(18-13)16(23)20-9-7-19(8-10-20)12(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,22).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.52, 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-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109093636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).