N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide

C14H19ClN2O — CID 114179571

IUPACN-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C14H19ClN2O/c1-10-5-4-8-16-13(10)14(18)17-12-7-3-2-6-11(12)9-15/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyWGZOEKFADNVIHE-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.92
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide

N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide (PubChem CID 114179571) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
PubChem CID114179571
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C14H19ClN2O/c1-10-5-4-8-16-13(10)14(18)17-12-7-3-2-6-11(12)9-15/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyWGZOEKFADNVIHE-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
CID 113395039
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-methylpyridine-2-carboxamide
CID 113290267
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-cyclopentyloxy-3-methylpyridine-2-carboxamide
CID 83202115
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide (CID 114179571) is N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide?
The InChIKey is WGZOEKFADNVIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-5-4-8-16-13(10)14(18)17-12-7-3-2-6-11(12)9-15/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide?
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 114179571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).