4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

C20H24N4O2 — CID 109209202

IUPAC4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccnc(C(=O)Nc3ccc(C)c(C)c3)c2)CC1
InChIInChI=1S/C20H24N4O2/c1-14-4-5-17(12-15(14)2)22-20(26)19-13-18(6-7-21-19)24-10-8-23(9-11-24)16(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKeyVTLRVOBIGLPJAJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.62
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109209202) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109209202
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccnc(C(=O)Nc3ccc(C)c(C)c3)c2)CC1
InChIInChI=1S/C20H24N4O2/c1-14-4-5-17(12-15(14)2)22-20(26)19-13-18(6-7-21-19)24-10-8-23(9-11-24)16(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKeyVTLRVOBIGLPJAJ-UHFFFAOYSA-N
XLogP2.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
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
N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109309479
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (CID 109209202) is 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is CC(=O)N1CCN(c2ccnc(C(=O)Nc3ccc(C)c(C)c3)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is VTLRVOBIGLPJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-4-5-17(12-15(14)2)22-20(26)19-13-18(6-7-21-19)24-10-8-23(9-11-24)16(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.62, 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-(3,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).