N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide

C17H17N3O — CID 62830086

IUPACN-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCC#N)c2ccccc2)c(C)n1
InChIInChI=1S/C17H17N3O/c1-13-9-10-16(14(2)19-13)17(21)20(12-6-11-18)15-7-4-3-5-8-15/h3-5,7-10H,6,12H2,1-2H3
InChIKeyRETLXYZXFDADOU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds4

About N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide

N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide (PubChem CID 62830086) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
PubChem CID62830086
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCC#N)c2ccccc2)c(C)n1
InChIInChI=1S/C17H17N3O/c1-13-9-10-16(14(2)19-13)17(21)20(12-6-11-18)15-7-4-3-5-8-15/h3-5,7-10H,6,12H2,1-2H3
InChIKeyRETLXYZXFDADOU-UHFFFAOYSA-N
XLogP3.26
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-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

N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582277
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
CID 65153086
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
N-(4-aminophenyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 63234084
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
CID 103520576

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide (CID 62830086) is N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CCC#N)c2ccccc2)c(C)n1.
What is the InChIKey of N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is RETLXYZXFDADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-9-10-16(14(2)19-13)17(21)20(12-6-11-18)15-7-4-3-5-8-15/h3-5,7-10H,6,12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide?
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 62830086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).