4-chloro-N-(2-methyl-3-pyridinyl)butanamide

C10H13ClN2O — CID 79042686

IUPAC4-chloro-N-(2-methyl-3-pyridinyl)butanamide
SMILESCc1ncccc1NC(=O)CCCCl
InChIInChI=1S/C10H13ClN2O/c1-8-9(4-3-7-12-8)13-10(14)5-2-6-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyMBZCVKATECMDSH-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.35
Rot. Bonds4

About 4-chloro-N-(2-methyl-3-pyridinyl)butanamide

4-chloro-N-(2-methyl-3-pyridinyl)butanamide (PubChem CID 79042686) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-3-pyridinyl)butanamide
PubChem CID79042686
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-N-(2-methyl-3-pyridinyl)butanamide
SMILESCc1ncccc1NC(=O)CCCCl
InChIInChI=1S/C10H13ClN2O/c1-8-9(4-3-7-12-8)13-10(14)5-2-6-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyMBZCVKATECMDSH-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-methyl-3-pyridinyl)butanamide 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

3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
4-(2-aminoethyl)-5-methyl-N-(2-methyl-3-pyridinyl)hexanamide
CID 79043202
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
2-(cyclopropylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043374
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-3-pyridinyl)butanamide?
The IUPAC name of 4-chloro-N-(2-methyl-3-pyridinyl)butanamide (CID 79042686) is 4-chloro-N-(2-methyl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-3-pyridinyl)butanamide?
The canonical SMILES for 4-chloro-N-(2-methyl-3-pyridinyl)butanamide is Cc1ncccc1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2-methyl-3-pyridinyl)butanamide?
The InChIKey is MBZCVKATECMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8-9(4-3-7-12-8)13-10(14)5-2-6-11/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-(2-methyl-3-pyridinyl)butanamide?
4-chloro-N-(2-methyl-3-pyridinyl)butanamide has a molecular weight of 212.68 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-3-pyridinyl)butanamide is sourced from PubChem (CID 79042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).