4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide

C15H22N4O2 — CID 109201306

IUPAC4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C15H22N4O2/c1-11(2)17-15(21)14-10-13(4-5-16-14)19-8-6-18(7-9-19)12(3)20/h4-5,10-11H,6-9H2,1-3H3,(H,17,21)
InChIKeyAGUGRAUIIJZOIM-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide

4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109201306) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109201306
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C15H22N4O2/c1-11(2)17-15(21)14-10-13(4-5-16-14)19-8-6-18(7-9-19)12(3)20/h4-5,10-11H,6-9H2,1-3H3,(H,17,21)
InChIKeyAGUGRAUIIJZOIM-UHFFFAOYSA-N
XLogP0.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209202
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 56910861
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
4-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109209263
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide (CID 109201306) is 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide is CC(=O)N1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is AGUGRAUIIJZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)17-15(21)14-10-13(4-5-16-14)19-8-6-18(7-9-19)12(3)20/h4-5,10-11H,6-9H2,1-3H3,(H,17,21).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109201306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).