N-(2-chloro-3-pyridinyl)-3-methylbutanamide

C10H13ClN2O — CID 836744

IUPACN-(2-chloro-3-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7(2)6-9(14)13-8-4-3-5-12-10(8)11/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyPAJCTJGKPCRVLM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.72
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-3-methylbutanamide

N-(2-chloro-3-pyridinyl)-3-methylbutanamide (PubChem CID 836744) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-methylbutanamide
PubChem CID836744
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(2-chloro-3-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7(2)6-9(14)13-8-4-3-5-12-10(8)11/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyPAJCTJGKPCRVLM-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-3-methylbutanamide 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

2-Chloro-3-pyridylamine
CID 80528
3-Acetamidopyridine
CID 79978
2-chloro-N-(6-cyanopyridin-3-yl)propanamide
CID 25141337
5-Amino-2-chloropyridine
CID 79305
3-Amino-2-chloro-4-methylpyridine
CID 2756387
1-(2-Chloropyridin-3-yl)-3-(4-fluorophenyl)urea
CID 727816
N-(2-chloropyridin-3-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3543650
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
CID 7330593
(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 676085
N-(2-chloro-3-pyridinyl)-2-phenylbutanamide
CID 11839529
1-(2-Chlorophenyl)-3-pyridin-3-ylurea
CID 1111639

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-methylbutanamide (CID 836744) is N-(2-chloro-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-methylbutanamide is CC(C)CC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-methylbutanamide?
The InChIKey is PAJCTJGKPCRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(2)6-9(14)13-8-4-3-5-12-10(8)11/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-methylbutanamide?
N-(2-chloro-3-pyridinyl)-3-methylbutanamide has a molecular weight of 212.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 836744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).