N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109191893

IUPACN-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NCCc3ccccc3)cn2)c1C
InChIInChI=1S/C22H23N3O/c1-16-7-6-10-20(17(16)2)25-22(26)21-12-11-19(15-24-21)23-14-13-18-8-4-3-5-9-18/h3-12,15,23H,13-14H2,1-2H3,(H,25,26)
InChIKeyRDMAKTFEZZIPGS-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.61
Rot. Bonds6

About N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide

N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109191893) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109191893
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NCCc3ccccc3)cn2)c1C
InChIInChI=1S/C22H23N3O/c1-16-7-6-10-20(17(16)2)25-22(26)21-12-11-19(15-24-21)23-14-13-18-8-4-3-5-9-18/h3-12,15,23H,13-14H2,1-2H3,(H,25,26)
InChIKeyRDMAKTFEZZIPGS-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

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Related Compounds

N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191938
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide (CID 109191893) is N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(NCCc3ccccc3)cn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is RDMAKTFEZZIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-7-6-10-20(17(16)2)25-22(26)21-12-11-19(15-24-21)23-14-13-18-8-4-3-5-9-18/h3-12,15,23H,13-14H2,1-2H3,(H,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
N-(2,3-dimethylphenyl)-5-(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-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).