N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide

C10H13ClN2O — CID 63395039

IUPACN-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
SMILESCCN(CCCl)C(=O)c1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-2-13(8-5-11)10(14)9-3-6-12-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyVLNXJKPEDAIIAP-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.78
Rot. Bonds4

About N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide

N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide (PubChem CID 63395039) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
PubChem CID63395039
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
SMILESCCN(CCCl)C(=O)c1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-2-13(8-5-11)10(14)9-3-6-12-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyVLNXJKPEDAIIAP-UHFFFAOYSA-N
XLogP1.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-ethylpyridine-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

N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-(2-chloroethyl)-N-ethyl-4-nitrobenzamide
CID 63395548
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
CID 55186275
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
3-chloro-N-(2-chloroethyl)-N-ethyl-5-methylbenzamide
CID 81324424
N-(chloromethyl)-N-hydroxypyridine-4-carboxamide
CID 54251383

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide (CID 63395039) is N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide is CCN(CCCl)C(=O)c1ccncc1.
What is the InChIKey of N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide?
The InChIKey is VLNXJKPEDAIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-13(8-5-11)10(14)9-3-6-12-7-4-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide?
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 63395039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).