6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C14H14ClN3O2 — CID 125478309

IUPAC6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2cnccc2Cl)[nH]c1=O
InChIInChI=1S/C14H14ClN3O2/c1-3-18(2)14(20)9-4-5-12(17-13(9)19)10-8-16-7-6-11(10)15/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyCCJAPLPBJRCDOQ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.18
Rot. Bonds3

About 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide

6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125478309) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125478309
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2cnccc2Cl)[nH]c1=O
InChIInChI=1S/C14H14ClN3O2/c1-3-18(2)14(20)9-4-5-12(17-13(9)19)10-8-16-7-6-11(10)15/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyCCJAPLPBJRCDOQ-UHFFFAOYSA-N
XLogP2.18
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-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 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 125478309) is 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CCN(C)C(=O)c1ccc(-c2cnccc2Cl)[nH]c1=O.
What is the InChIKey of 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CCJAPLPBJRCDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-3-18(2)14(20)9-4-5-12(17-13(9)19)10-8-16-7-6-11(10)15/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-pyridinyl)-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125478309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).