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

C24H26N4O — CID 109159593

IUPACN-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)nc2)c1C
InChIInChI=1S/C24H26N4O/c1-18-7-6-10-22(19(18)2)26-24(29)20-11-12-23(25-17-20)28-15-13-27(14-16-28)21-8-4-3-5-9-21/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyVCFUSSFIJVCSOF-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.28
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109159593) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109159593
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)nc2)c1C
InChIInChI=1S/C24H26N4O/c1-18-7-6-10-22(19(18)2)26-24(29)20-11-12-23(25-17-20)28-15-13-27(14-16-28)21-8-4-3-5-9-21/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyVCFUSSFIJVCSOF-UHFFFAOYSA-N
XLogP4.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
N-(2,3-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282361
N-(2,3-dimethylphenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331495
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
6-(azepan-1-yl)-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 36995922
N-(2,3-dimethylphenyl)-6-(2-phenylhydrazinyl)pyridine-3-carboxamide
CID 110178439
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 109159593) is N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)nc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is VCFUSSFIJVCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-7-6-10-22(19(18)2)26-24(29)20-11-12-23(25-17-20)28-15-13-27(14-16-28)21-8-4-3-5-9-21/h3-12,17H,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).