5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C12H15FN2O2 — CID 146080052

IUPAC5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)ncc1F
InChIInChI=1S/C12H15FN2O2/c1-8-5-11(14-7-10(8)13)12(16)15-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyRVOQPPJMRIEOPJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.44
Rot. Bonds3

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

5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 146080052) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID146080052
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)ncc1F
InChIInChI=1S/C12H15FN2O2/c1-8-5-11(14-7-10(8)13)12(16)15-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyRVOQPPJMRIEOPJ-UHFFFAOYSA-N
XLogP1.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 146080052) is 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is Cc1cc(C(=O)NCC2CCCO2)ncc1F.
What is the InChIKey of 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is RVOQPPJMRIEOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-5-11(14-7-10(8)13)12(16)15-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146080052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).