N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide

C22H21N3O2 — CID 4922676

IUPACN-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H21N3O2/c1-25(22(27)18-10-7-14-23-16-18)20-12-6-5-11-19(20)21(26)24-15-13-17-8-3-2-4-9-17/h2-12,14,16H,13,15H2,1H3,(H,24,26)
InChIKeyCLMZIBAORZHAEJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.33
Rot. Bonds6

About N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide

N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 4922676) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID4922676
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H21N3O2/c1-25(22(27)18-10-7-14-23-16-18)20-12-6-5-11-19(20)21(26)24-15-13-17-8-3-2-4-9-17/h2-12,14,16H,13,15H2,1H3,(H,24,26)
InChIKeyCLMZIBAORZHAEJ-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-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

2-[benzoylcarbamothioyl(methyl)amino]-N-(2-phenylethyl)benzamide
CID 4930713
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 4981732
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4683297
4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 4930557
2-[methyl-(2-naphthalen-1-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 4930560
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
2-anilino-N-(2-pyridin-3-ylethyl)benzamide
CID 36866409
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 4922676) is N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide is CN(C(=O)c1cccnc1)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CLMZIBAORZHAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(22(27)18-10-7-14-23-16-18)20-12-6-5-11-19(20)21(26)24-15-13-17-8-3-2-4-9-17/h2-12,14,16H,13,15H2,1H3,(H,24,26).
What are the key properties of N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4922676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).