(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide

C16H19F3N2O2 — CID 124573188

IUPAC(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)12-5-1-2-6-13(12)20-15(22)21-8-7-14-11(10-21)4-3-9-23-14/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,22)/t11-,14-/m0/s1
InChIKeyOOLSGSPJJRFWDG-FZMZJTMJSA-N
MW328.33 g/mol
LogP3.74
Rot. Bonds1

About (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide

(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide (PubChem CID 124573188) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
PubChem CID124573188
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)12-5-1-2-6-13(12)20-15(22)21-8-7-14-11(10-21)4-3-9-23-14/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,22)/t11-,14-/m0/s1
InChIKeyOOLSGSPJJRFWDG-FZMZJTMJSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573175
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 43815916
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122337167

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
The IUPAC name of (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide (CID 124573188) is (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1.
What is the InChIKey of (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
The InChIKey is OOLSGSPJJRFWDG-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)12-5-1-2-6-13(12)20-15(22)21-8-7-14-11(10-21)4-3-9-23-14/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,22)/t11-,14-/m0/s1.
What are the key properties of (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 124573188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).