6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C13H16FN3O2 — CID 63979533

IUPAC6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C13H16FN3O2/c1-16(9-12(18)17-6-2-3-7-17)13(19)10-4-5-11(14)15-8-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyPKJHBDXXTCISAT-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.92
Rot. Bonds3

About 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 63979533) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID63979533
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C13H16FN3O2/c1-16(9-12(18)17-6-2-3-7-17)13(19)10-4-5-11(14)15-8-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyPKJHBDXXTCISAT-UHFFFAOYSA-N
XLogP0.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.92
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

N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
6-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 63971210
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 154868534
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
2-N,5-N-dimethyl-5-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2,5-dicarboxamide
CID 146084949
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 138999191
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 55567018

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 63979533) is 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is CN(CC(=O)N1CCCC1)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is PKJHBDXXTCISAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-16(9-12(18)17-6-2-3-7-17)13(19)10-4-5-11(14)15-8-10/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63979533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).