N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide

C13H15F3N2O2 — CID 138013636

IUPACN-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide
SMILESCc1ccnc(C(F)(F)F)c1NC(=O)C1CCCOC1
InChIInChI=1S/C13H15F3N2O2/c1-8-4-5-17-11(13(14,15)16)10(8)18-12(19)9-3-2-6-20-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyVKDVBUIDNOPQHT-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.77
Rot. Bonds2

About N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide

N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide (PubChem CID 138013636) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide
PubChem CID138013636
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide
SMILESCc1ccnc(C(F)(F)F)c1NC(=O)C1CCCOC1
InChIInChI=1S/C13H15F3N2O2/c1-8-4-5-17-11(13(14,15)16)10(8)18-12(19)9-3-2-6-20-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyVKDVBUIDNOPQHT-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide
CID 62759395
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148
3,5-dimethyl-4-(oxane-3-carbonylamino)benzenesulfonyl chloride
CID 63011502
N-(2-amino-4-bromo-6-methylphenyl)oxane-3-carboxamide
CID 63010459
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide
CID 122158768
N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
CID 106834575
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300
(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide
CID 124589847
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide?
The IUPAC name of N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide (CID 138013636) is N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide?
The canonical SMILES for N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide is Cc1ccnc(C(F)(F)F)c1NC(=O)C1CCCOC1.
What is the InChIKey of N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide?
The InChIKey is VKDVBUIDNOPQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-4-5-17-11(13(14,15)16)10(8)18-12(19)9-3-2-6-20-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide?
N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide is sourced from PubChem (CID 138013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).