N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide

C14H21ClN2O — CID 63395731

IUPACN-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(CCCl)C(=O)c1ccc(C)nc1
InChIInChI=1S/C14H21ClN2O/c1-4-13(5-2)17(9-8-15)14(18)12-7-6-11(3)16-10-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyGLAKXWNKDXLWIX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.26
Rot. Bonds6

About N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide

N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 63395731) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID63395731
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(CCCl)C(=O)c1ccc(C)nc1
InChIInChI=1S/C14H21ClN2O/c1-4-13(5-2)17(9-8-15)14(18)12-7-6-11(3)16-10-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyGLAKXWNKDXLWIX-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.26
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

N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 81325136
N-(2-chloroethyl)-N-cyclohexyl-6-methylpyridine-3-carboxamide
CID 63391189
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide
CID 55185541
3-bromo-N-(2-chloroethyl)-4-methoxy-N-pentan-3-ylbenzamide
CID 63398339
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
3-bromo-N-(2-chloroethyl)-5-fluoro-N-pentan-3-ylbenzamide
CID 55188004

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide (CID 63395731) is N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)N(CCCl)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is GLAKXWNKDXLWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-13(5-2)17(9-8-15)14(18)12-7-6-11(3)16-10-12/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide?
N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 63395731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).