2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide

C12H14ClN3O2 — CID 104952562

IUPAC2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)C2=O)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)14-7)11(17)15-9-3-4-16(2)12(9)18/h5-6,9H,3-4H2,1-2H3,(H,15,17)
InChIKeyQXPNAVQUWKEEKG-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.00
Rot. Bonds2

About 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide

2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 104952562) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID104952562
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)C2=O)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)14-7)11(17)15-9-3-4-16(2)12(9)18/h5-6,9H,3-4H2,1-2H3,(H,15,17)
InChIKeyQXPNAVQUWKEEKG-UHFFFAOYSA-N
XLogP1.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide 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-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106253688
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 126441594
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 75390408
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106258823
2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
CID 113378456
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 106256433
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
CID 136512866
2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
CID 113378498

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide (CID 104952562) is 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCN(C)C2=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is QXPNAVQUWKEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)14-7)11(17)15-9-3-4-16(2)12(9)18/h5-6,9H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 104952562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).