2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide

C13H16ClN3O2 — CID 60707021

IUPAC2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-16(9-12(18)17-6-2-3-7-17)13(19)10-4-5-15-11(14)8-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeySIKPSOFDRFWJTC-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.43
Rot. Bonds3

About 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide

2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide (PubChem CID 60707021) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
PubChem CID60707021
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-16(9-12(18)17-6-2-3-7-17)13(19)10-4-5-15-11(14)8-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeySIKPSOFDRFWJTC-UHFFFAOYSA-N
XLogP1.43
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 105416236
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
4-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 51095335
2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107722529
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525498
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
CID 47047686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide (CID 60707021) is 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide is CN(CC(=O)N1CCCC1)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is SIKPSOFDRFWJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-16(9-12(18)17-6-2-3-7-17)13(19)10-4-5-15-11(14)8-10/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 60707021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).