N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide

C13H19ClN2O — CID 107157522

IUPACN-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(Cl)CC(C)C)n1
InChIInChI=1S/C13H19ClN2O/c1-9(2)7-11(14)8-15-13(17)12-6-4-5-10(3)16-12/h4-6,9,11H,7-8H2,1-3H3,(H,15,17)
InChIKeyYURCHKYMXQVDNO-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.77
Rot. Bonds5

About N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide

N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide (PubChem CID 107157522) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
PubChem CID107157522
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(Cl)CC(C)C)n1
InChIInChI=1S/C13H19ClN2O/c1-9(2)7-11(14)8-15-13(17)12-6-4-5-10(3)16-12/h4-6,9,11H,7-8H2,1-3H3,(H,15,17)
InChIKeyYURCHKYMXQVDNO-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-methylpentyl)-6-methylpyridine-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-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-(2-chloro-4-methylpentyl)-3-methylpyridine-2-carboxamide
CID 107157408
3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492491
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
N-(2-chloro-4-methylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 107157214
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide (CID 107157522) is N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC(Cl)CC(C)C)n1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide?
The InChIKey is YURCHKYMXQVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)7-11(14)8-15-13(17)12-6-4-5-10(3)16-12/h4-6,9,11H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide?
N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 107157522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).