5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide

C13H15FN2O2 — CID 104638616

IUPAC5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCC(=O)CC1
InChIInChI=1S/C13H15FN2O2/c1-16(10-3-5-11(17)6-4-10)13(18)12-7-2-9(14)8-15-12/h2,7-8,10H,3-6H2,1H3
InChIKeyJQDMTOFANSAGBC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.80
Rot. Bonds2

About 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide

5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide (PubChem CID 104638616) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
PubChem CID104638616
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCC(=O)CC1
InChIInChI=1S/C13H15FN2O2/c1-16(10-3-5-11(17)6-4-10)13(18)12-7-2-9(14)8-15-12/h2,7-8,10H,3-6H2,1H3
InChIKeyJQDMTOFANSAGBC-UHFFFAOYSA-N
XLogP1.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-cyano-5-fluoro-N-methylpyridine-2-carboxamide
CID 130605397
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide (CID 104638616) is 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide is CN(C(=O)c1ccc(F)cn1)C1CCC(=O)CC1.
What is the InChIKey of 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide?
The InChIKey is JQDMTOFANSAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16(10-3-5-11(17)6-4-10)13(18)12-7-2-9(14)8-15-12/h2,7-8,10H,3-6H2,1H3.
What are the key properties of 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide?
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 104638616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).