N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide

C23H24N4O — CID 109159582

IUPACN-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N4O/c1-18-7-5-6-10-21(18)25-23(28)19-11-12-22(24-17-19)27-15-13-26(14-16-27)20-8-3-2-4-9-20/h2-12,17H,13-16H2,1H3,(H,25,28)
InChIKeyLZFGTAFILXNBBA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.97
Rot. Bonds4

About N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109159582) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109159582
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N4O/c1-18-7-5-6-10-21(18)25-23(28)19-11-12-22(24-17-19)27-15-13-26(14-16-27)20-8-3-2-4-9-20/h2-12,17H,13-16H2,1H3,(H,25,28)
InChIKeyLZFGTAFILXNBBA-UHFFFAOYSA-N
XLogP3.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160643
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(5-tert-butylcyclohepta-1,4,6-trien-1-yl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide;formic acid
CID 143994491
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 109159582) is N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is LZFGTAFILXNBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-18-7-5-6-10-21(18)25-23(28)19-11-12-22(24-17-19)27-15-13-26(14-16-27)20-8-3-2-4-9-20/h2-12,17H,13-16H2,1H3,(H,25,28).
What are the key properties of N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).