N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide

C11H15ClN2O — CID 63395365

IUPACN-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc(C)nc1
InChIInChI=1S/C11H15ClN2O/c1-3-14(7-6-12)11(15)10-5-4-9(2)13-8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHBLQQXANYSJONO-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.09
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide

N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide (PubChem CID 63395365) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
PubChem CID63395365
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc(C)nc1
InChIInChI=1S/C11H15ClN2O/c1-3-14(7-6-12)11(15)10-5-4-9(2)13-8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHBLQQXANYSJONO-UHFFFAOYSA-N
XLogP2.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
CID 63395731
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
N-(2-chloroethyl)-N-cyclohexyl-6-methylpyridine-3-carboxamide
CID 63391189
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 138999191
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide (CID 63395365) is N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide is CCN(CCCl)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide?
The InChIKey is HBLQQXANYSJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-14(7-6-12)11(15)10-5-4-9(2)13-8-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide?
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.09, 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-ethyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 63395365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).