N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide

C12H13F3N2O3 — CID 155950777

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCCO1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)7-5-8(10(18)16-6-7)17-11(19)9-3-1-2-4-20-9/h5-6,9H,1-4H2,(H,16,18)(H,17,19)
InChIKeyOETSQKVNUBAHEC-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.90
Rot. Bonds2

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide (PubChem CID 155950777) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
PubChem CID155950777
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCCO1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)7-5-8(10(18)16-6-7)17-11(19)9-3-1-2-4-20-9/h5-6,9H,1-4H2,(H,16,18)(H,17,19)
InChIKeyOETSQKVNUBAHEC-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 119399153
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119112164
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 95977169
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 39964639
trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 95977225
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 126832007
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 94195543

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide (CID 155950777) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCCO1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide?
The InChIKey is OETSQKVNUBAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)7-5-8(10(18)16-6-7)17-11(19)9-3-1-2-4-20-9/h5-6,9H,1-4H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide is sourced from PubChem (CID 155950777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).