N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide

C14H21ClN2O — CID 114177913

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(CCCl)C(C)(C)C)n1
InChIInChI=1S/C14H21ClN2O/c1-10-6-5-7-11(16-10)13(18)17-12(8-9-15)14(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,17,18)
InChIKeyDRJWOUKXVMQUEU-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.16
Rot. Bonds4

About N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide (PubChem CID 114177913) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
PubChem CID114177913
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(CCCl)C(C)(C)C)n1
InChIInChI=1S/C14H21ClN2O/c1-10-6-5-7-11(16-10)13(18)17-12(8-9-15)14(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,17,18)
InChIKeyDRJWOUKXVMQUEU-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4,4-dimethylpentan-3-yl)-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-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 114295056
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 106355356
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 114177852
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide (CID 114177913) is N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC(CCCl)C(C)(C)C)n1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is DRJWOUKXVMQUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-6-5-7-11(16-10)13(18)17-12(8-9-15)14(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 114177913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).