N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C12H13F3N2O3 — CID 138035487

IUPACN-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)8-3-4-9(17-10(8)18)11(19)16-7-2-1-5-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,19)(H,17,18)/t7-/m0/s1
InChIKeyMNEJNHPTUDCGDR-ZETCQYMHSA-N
MW290.24 g/mol
LogP1.30
Rot. Bonds2

About N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 138035487) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID138035487
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)8-3-4-9(17-10(8)18)11(19)16-7-2-1-5-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,19)(H,17,18)/t7-/m0/s1
InChIKeyMNEJNHPTUDCGDR-ZETCQYMHSA-N
XLogP1.30
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-(methylamino)-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137449457
5-Fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one
CID 137449459
5-fluoro-1-[(3S)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373474
5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139383745
5-Fluoro-1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139390394
3-Amino-1-(oxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164559543
2-morpholin-3-yl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 121710645
6-(2-propylmorpholine-4-carbonyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 132300476
6-[3-(2-methylpropyl)morpholine-4-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 132300730
N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 154786165
2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide
CID 55190015
N-(oxan-3-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 108110002

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 138035487) is N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is O=C(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is MNEJNHPTUDCGDR-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)8-3-4-9(17-10(8)18)11(19)16-7-2-1-5-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,19)(H,17,18)/t7-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138035487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).