N-butyl-5-cyano-N-ethylpyridine-2-carboxamide

C13H17N3O — CID 63719310

IUPACN-butyl-5-cyano-N-ethylpyridine-2-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O/c1-3-5-8-16(4-2)13(17)12-7-6-11(9-14)10-15-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyQQOQIPOFHRQQSQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.22
Rot. Bonds5

About N-butyl-5-cyano-N-ethylpyridine-2-carboxamide

N-butyl-5-cyano-N-ethylpyridine-2-carboxamide (PubChem CID 63719310) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-butyl-5-cyano-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-cyano-N-ethylpyridine-2-carboxamide
PubChem CID63719310
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-butyl-5-cyano-N-ethylpyridine-2-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O/c1-3-5-8-16(4-2)13(17)12-7-6-11(9-14)10-15-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyQQOQIPOFHRQQSQ-UHFFFAOYSA-N
XLogP2.22
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-5-cyano-N-ethylpyridine-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

5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-cyano-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-cyano-N-ethylpyridine-2-carboxamide (CID 63719310) is N-butyl-5-cyano-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-cyano-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-cyano-N-ethylpyridine-2-carboxamide is CCCCN(CC)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-butyl-5-cyano-N-ethylpyridine-2-carboxamide?
The InChIKey is QQOQIPOFHRQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-5-8-16(4-2)13(17)12-7-6-11(9-14)10-15-12/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of N-butyl-5-cyano-N-ethylpyridine-2-carboxamide?
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-cyano-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 63719310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).