2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide

C9H8ClN3O — CID 14054594

IUPAC2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
SMILESN#CCCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-8-6-7(2-5-12-8)9(14)13-4-1-3-11/h2,5-6H,1,4H2,(H,13,14)
InChIKeyCBHOVWWXFMAQCV-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.38
Rot. Bonds3

About 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide

2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide (PubChem CID 14054594) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
PubChem CID14054594
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
SMILESN#CCCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-8-6-7(2-5-12-8)9(14)13-4-1-3-11/h2,5-6H,1,4H2,(H,13,14)
InChIKeyCBHOVWWXFMAQCV-UHFFFAOYSA-N
XLogP1.38
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-cyanoethyl)pyridine-4-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-chloro-N-pent-3-ynylpyridine-4-carboxamide
CID 115977384
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide (CID 14054594) is 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide is N#CCCNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide?
The InChIKey is CBHOVWWXFMAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-8-6-7(2-5-12-8)9(14)13-4-1-3-11/h2,5-6H,1,4H2,(H,13,14).
What are the key properties of 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide?
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide has a molecular weight of 209.64 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide is sourced from PubChem (CID 14054594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).