(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide

C15H17F3N2O2 — CID 164635537

IUPAC(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCCc1cc(C(F)(F)F)ccn1)[C@H]1[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)9-3-5-19-10(8-9)4-6-20-14(21)12-11-2-1-7-22-13(11)12/h3,5,8,11-13H,1-2,4,6-7H2,(H,20,21)/t11-,12-,13-/m0/s1
InChIKeyOUOCAIOVHKYWIB-AVGNSLFASA-N
MW314.31 g/mol
LogP2.18
Rot. Bonds4

About (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide

(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 164635537) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
PubChem CID164635537
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCCc1cc(C(F)(F)F)ccn1)[C@H]1[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)9-3-5-19-10(8-9)4-6-20-14(21)12-11-2-1-7-22-13(11)12/h3,5,8,11-13H,1-2,4,6-7H2,(H,20,21)/t11-,12-,13-/m0/s1
InChIKeyOUOCAIOVHKYWIB-AVGNSLFASA-N
XLogP2.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
CID 166206094
1-(1-propylsulfonylpiperidin-4-yl)-3-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]urea
CID 166321647
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
1-[(1R,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 99830802
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 68606626
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
CID 125470676
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 99819991

Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide (CID 164635537) is (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide is O=C(NCCc1cc(C(F)(F)F)ccn1)[C@H]1[C@@H]2CCCO[C@@H]21.
What is the InChIKey of (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is OUOCAIOVHKYWIB-AVGNSLFASA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)9-3-5-19-10(8-9)4-6-20-14(21)12-11-2-1-7-22-13(11)12/h3,5,8,11-13H,1-2,4,6-7H2,(H,20,21)/t11-,12-,13-/m0/s1.
What are the key properties of (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 164635537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).