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

C20H24N4O2 — CID 109169122

IUPAC2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)N(C)Cc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)19-14-18(8-9-21-19)20(26)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyWKGLWUIJOBIWGK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.02
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide (PubChem CID 109169122) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
PubChem CID109169122
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)N(C)Cc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)19-14-18(8-9-21-19)20(26)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyWKGLWUIJOBIWGK-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-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256640
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide (CID 109169122) is 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)N(C)Cc3ccccc3)ccn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide?
The InChIKey is WKGLWUIJOBIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)19-14-18(8-9-21-19)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 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-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 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109169122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).