N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C19H22N4O2 — CID 84574044

IUPACN-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C19H22N4O2/c1-14(24)15-5-3-6-16(13-15)20-19(25)17-7-4-8-18(21-17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,20,25)
InChIKeyZGTCCAVWZMWPJM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.29
Rot. Bonds4

About N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 84574044) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID84574044
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C19H22N4O2/c1-14(24)15-5-3-6-16(13-15)20-19(25)17-7-4-8-18(21-17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,20,25)
InChIKeyZGTCCAVWZMWPJM-UHFFFAOYSA-N
XLogP2.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 155945840
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
methyl 3-[[6-(4-methylpiperazin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109116247
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366970
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 84574044) is N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cccc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is ZGTCCAVWZMWPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)15-5-3-6-16(13-15)20-19(25)17-7-4-8-18(21-17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,20,25).
What are the key properties of N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 84574044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).