3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

C10H13ClN2O2 — CID 62729074

IUPAC3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C10H13ClN2O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h3-4,6-7H,5H2,1-2H3,(H,12,15)
InChIKeyQJQASDINNRDIDM-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.20
Rot. Bonds3

About 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (PubChem CID 62729074) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
PubChem CID62729074
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C10H13ClN2O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h3-4,6-7H,5H2,1-2H3,(H,12,15)
InChIKeyQJQASDINNRDIDM-UHFFFAOYSA-N
XLogP1.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (CID 62729074) is 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is CC(CCl)C(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The InChIKey is QJQASDINNRDIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h3-4,6-7H,5H2,1-2H3,(H,12,15).
What are the key properties of 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide has a molecular weight of 228.68 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 62729074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).