3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

C11H15ClN2O — CID 62729041

IUPAC3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(CCl)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H15ClN2O/c1-9(6-12)11(15)14(2)8-10-4-3-5-13-7-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeySWYWUSIDFXXANH-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.91
Rot. Bonds4

About 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 62729041) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID62729041
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(CCl)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H15ClN2O/c1-9(6-12)11(15)14(2)8-10-4-3-5-13-7-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeySWYWUSIDFXXANH-UHFFFAOYSA-N
XLogP1.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide 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-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (CID 62729041) is 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is CC(CCl)C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SWYWUSIDFXXANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-9(6-12)11(15)14(2)8-10-4-3-5-13-7-10/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 226.71 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 62729041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).