N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109213674

IUPACN-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(NCCc3ccccc3)ccn2)c1
InChIInChI=1S/C22H23N3O/c1-16-8-9-17(2)20(14-16)25-22(26)21-15-19(11-13-24-21)23-12-10-18-6-4-3-5-7-18/h3-9,11,13-15H,10,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyKXHINSGKMZERHI-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.61
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide

N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109213674) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109213674
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(NCCc3ccccc3)ccn2)c1
InChIInChI=1S/C22H23N3O/c1-16-8-9-17(2)20(14-16)25-22(26)21-15-19(11-13-24-21)23-12-10-18-6-4-3-5-7-18/h3-9,11,13-15H,10,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyKXHINSGKMZERHI-UHFFFAOYSA-N
XLogP4.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121554
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide (CID 109213674) is N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(NCCc3ccccc3)ccn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is KXHINSGKMZERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-9-17(2)20(14-16)25-22(26)21-15-19(11-13-24-21)23-12-10-18-6-4-3-5-7-18/h3-9,11,13-15H,10,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).