N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide

C15H21ClN2O — CID 114278806

IUPACN-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-12-11-17-9-7-14(12)15(19)18(10-8-16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3
InChIKeyCCTINNCBUVQVMY-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.40
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide

N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide (PubChem CID 114278806) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
PubChem CID114278806
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-12-11-17-9-7-14(12)15(19)18(10-8-16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3
InChIKeyCCTINNCBUVQVMY-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.40
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-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105064483
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-(2-chloroethyl)-N-cyclohexyl-6-methylpyridine-3-carboxamide
CID 63391189
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
CID 63391701
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
CID 63391893

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide (CID 114278806) is N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide?
The InChIKey is CCTINNCBUVQVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-11-17-9-7-14(12)15(19)18(10-8-16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide?
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.40, 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-cyclohexyl-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 114278806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).