3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide

C13H15ClN4O — CID 62175803

IUPAC3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)N(CCC#N)C2CC2)n1
InChIInChI=1S/C13H15ClN4O/c1-16-11-6-5-10(14)12(17-11)13(19)18(8-2-7-15)9-3-4-9/h5-6,9H,2-4,8H2,1H3,(H,16,17)
InChIKeyWOVXCVVGXQOGKQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.29
Rot. Bonds5

About 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62175803) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
PubChem CID62175803
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)N(CCC#N)C2CC2)n1
InChIInChI=1S/C13H15ClN4O/c1-16-11-6-5-10(14)12(17-11)13(19)18(8-2-7-15)9-3-4-9/h5-6,9H,2-4,8H2,1H3,(H,16,17)
InChIKeyWOVXCVVGXQOGKQ-UHFFFAOYSA-N
XLogP2.29
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-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

6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide
CID 62237031
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
CID 2807201
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N-cyclopentyl-N-ethyl-6-hydrazinylpyridine-2-carboxamide
CID 62243034
2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 114219509
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62179492
3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 112664070
3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63290108
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide (CID 62175803) is 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)N(CCC#N)C2CC2)n1.
What is the InChIKey of 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is WOVXCVVGXQOGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-16-11-6-5-10(14)12(17-11)13(19)18(8-2-7-15)9-3-4-9/h5-6,9H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62175803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).