N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide

C13H19ClN2O — CID 106144378

IUPACN-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)(CCCCl)CNC(=O)c1ccccn1
InChIInChI=1S/C13H19ClN2O/c1-13(2,7-5-8-14)10-16-12(17)11-6-3-4-9-15-11/h3-4,6,9H,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyOGHXENOCSHENSH-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.86
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide

N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide (PubChem CID 106144378) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
PubChem CID106144378
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)(CCCCl)CNC(=O)c1ccccn1
InChIInChI=1S/C13H19ClN2O/c1-13(2,7-5-8-14)10-16-12(17)11-6-3-4-9-15-11/h3-4,6,9H,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyOGHXENOCSHENSH-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2,2-dimethylpentyl)pyridine-2-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-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
CID 106142341
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide (CID 106144378) is N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide is CC(C)(CCCCl)CNC(=O)c1ccccn1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide?
The InChIKey is OGHXENOCSHENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,7-5-8-14)10-16-12(17)11-6-3-4-9-15-11/h3-4,6,9H,5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide?
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 106144378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).