N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H13F3N2O2 — CID 124606510

IUPACN-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)10-4-3-8(6-16-10)11(18)17-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,17,18)/t9-/m0/s1
InChIKeyAAKHAYPZOPRBHZ-VIFPVBQESA-N
MW274.24 g/mol
LogP2.01
Rot. Bonds2

About N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 124606510) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID124606510
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)10-4-3-8(6-16-10)11(18)17-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,17,18)/t9-/m0/s1
InChIKeyAAKHAYPZOPRBHZ-VIFPVBQESA-N
XLogP2.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 22318683
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155510000
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
CID 20709646
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 140596172
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 124606510) is N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(N[C@H]1CCCOC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AAKHAYPZOPRBHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)10-4-3-8(6-16-10)11(18)17-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 124606510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).