N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

C24H26N4O — CID 109193453

IUPACN-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)cn2)c1C
InChIInChI=1S/C24H26N4O/c1-18-7-6-10-22(19(18)2)26-24(29)23-12-11-21(17-25-23)28-15-13-27(14-16-28)20-8-4-3-5-9-20/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyJBUFHCHCEDTJPQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.28
Rot. Bonds4

About N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109193453) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109193453
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)cn2)c1C
InChIInChI=1S/C24H26N4O/c1-18-7-6-10-22(19(18)2)26-24(29)23-12-11-21(17-25-23)28-15-13-27(14-16-28)20-8-4-3-5-9-20/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyJBUFHCHCEDTJPQ-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-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 109193453) is N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)cn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is JBUFHCHCEDTJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-7-6-10-22(19(18)2)26-24(29)23-12-11-21(17-25-23)28-15-13-27(14-16-28)20-8-4-3-5-9-20/h3-12,17H,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-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)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109193453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).