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

C11H17F3N2O2 — CID 124573175

IUPAC(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-15-10(17)16-4-3-9-8(6-16)2-1-5-18-9/h8-9H,1-7H2,(H,15,17)/t8-,9+/m1/s1
InChIKeyPBHZRLHYCULURW-BDAKNGLRSA-N
MW266.26 g/mol
LogP1.76
Rot. Bonds1

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

(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide (PubChem CID 124573175) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
PubChem CID124573175
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-15-10(17)16-4-3-9-8(6-16)2-1-5-18-9/h8-9H,1-7H2,(H,15,17)/t8-,9+/m1/s1
InChIKeyPBHZRLHYCULURW-BDAKNGLRSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide with MolForge

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Related Compounds

(2R)-2-[(2S)-oxolan-2-yl]-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 124513990
4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide
CID 49471765
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone
CID 130671896
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide
CID 99824153
(2S)-1-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-amino-3-methylbutan-1-one
CID 99852576
N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 100651761
4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113462923

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
The IUPAC name of (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide (CID 124573175) is (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide is O=C(NCC(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1.
What is the InChIKey of (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
The InChIKey is PBHZRLHYCULURW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)7-15-10(17)16-4-3-9-8(6-16)2-1-5-18-9/h8-9H,1-7H2,(H,15,17)/t8-,9+/m1/s1.
What are the key properties of (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide?
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 124573175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).