5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide

C20H24N4O2 — CID 109187351

IUPAC5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)nc2)CC1
InChIInChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)18-8-9-19(21-14-18)20(26)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyNPSNLVZEADFIJB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.02
Rot. Bonds4

About 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide (PubChem CID 109187351) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
PubChem CID109187351
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)nc2)CC1
InChIInChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)18-8-9-19(21-14-18)20(26)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyNPSNLVZEADFIJB-UHFFFAOYSA-N
XLogP2.02
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
CID 109187393
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide (CID 109187351) is 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)nc2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide?
The InChIKey is NPSNLVZEADFIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)18-8-9-19(21-14-18)20(26)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109187351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).