N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide

C10H13ClN2O — CID 114302740

IUPACN-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
SMILESCC(CCl)CNC(=O)c1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-8(6-11)7-13-10(14)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyHUMKWNWQJKXNSO-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.69
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide

N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114302740) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
PubChem CID114302740
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
SMILESCC(CCl)CNC(=O)c1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-8(6-11)7-13-10(14)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyHUMKWNWQJKXNSO-UHFFFAOYSA-N
XLogP1.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-methylpropyl)pyridine-4-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-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
N-[2-(4-phenylphenyl)propyl]pyridine-4-carboxamide
CID 59093479
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033
N-(4-chloro-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754217

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide (CID 114302740) is N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide is CC(CCl)CNC(=O)c1ccncc1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is HUMKWNWQJKXNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(6-11)7-13-10(14)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide?
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114302740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).