N-benzyl-N-ethylpyridine-3-carboxamide

C15H16N2O — CID 668903

IUPACN-benzyl-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C15H16N2O/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14/h3-11H,2,12H2,1H3
InChIKeyAVLSXVXFIZFMNL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.74
Rot. Bonds4

About N-benzyl-N-ethylpyridine-3-carboxamide

N-benzyl-N-ethylpyridine-3-carboxamide (PubChem CID 668903) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-benzyl-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethylpyridine-3-carboxamide
PubChem CID668903
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-benzyl-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C15H16N2O/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14/h3-11H,2,12H2,1H3
InChIKeyAVLSXVXFIZFMNL-UHFFFAOYSA-N
XLogP2.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-ethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethylpyridine-3-carboxamide (CID 668903) is N-benzyl-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cccnc1.
What is the InChIKey of N-benzyl-N-ethylpyridine-3-carboxamide?
The InChIKey is AVLSXVXFIZFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14/h3-11H,2,12H2,1H3.
What are the key properties of N-benzyl-N-ethylpyridine-3-carboxamide?
N-benzyl-N-ethylpyridine-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 668903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).