2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

C10H13ClN2O2 — CID 121320996

IUPAC2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1c[nH]c(Cl)c(C(=O)NC(C)C)c1=O
InChIInChI=1S/C10H13ClN2O2/c1-5(2)13-10(15)7-8(14)6(3)4-12-9(7)11/h4-5H,1-3H3,(H,12,14)(H,13,15)
InChIKeyCVPQNIHFBLTNLO-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.47
Rot. Bonds2

About 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 121320996) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID121320996
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1c[nH]c(Cl)c(C(=O)NC(C)C)c1=O
InChIInChI=1S/C10H13ClN2O2/c1-5(2)13-10(15)7-8(14)6(3)4-12-9(7)11/h4-5H,1-3H3,(H,12,14)(H,13,15)
InChIKeyCVPQNIHFBLTNLO-UHFFFAOYSA-N
XLogP1.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (CID 121320996) is 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is Cc1c[nH]c(Cl)c(C(=O)NC(C)C)c1=O.
What is the InChIKey of 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is CVPQNIHFBLTNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-5(2)13-10(15)7-8(14)6(3)4-12-9(7)11/h4-5H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121320996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).