[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone

C15H18F2N2O2 — CID 176763931

IUPAC[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
SMILESC[C@@H]1CC2C[C@](COC(F)F)(C1)N2C(=O)c1ccccn1
InChIInChI=1S/C15H18F2N2O2/c1-10-6-11-8-15(7-10,9-21-14(16)17)19(11)13(20)12-4-2-3-5-18-12/h2-5,10-11,14H,6-9H2,1H3/t10-,11?,15+/m1/s1
InChIKeyKQMLNIYPSAZKES-JRDMHLJOSA-N
MW296.32 g/mol
LogP2.70
Rot. Bonds4

About [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone

[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone (PubChem CID 176763931) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
PubChem CID176763931
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
SMILESC[C@@H]1CC2C[C@](COC(F)F)(C1)N2C(=O)c1ccccn1
InChIInChI=1S/C15H18F2N2O2/c1-10-6-11-8-15(7-10,9-21-14(16)17)19(11)13(20)12-4-2-3-5-18-12/h2-5,10-11,14H,6-9H2,1H3/t10-,11?,15+/m1/s1
InChIKeyKQMLNIYPSAZKES-JRDMHLJOSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone (CID 176763931) is [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone is C[C@@H]1CC2C[C@](COC(F)F)(C1)N2C(=O)c1ccccn1.
What is the InChIKey of [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
The InChIKey is KQMLNIYPSAZKES-JRDMHLJOSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-10-6-11-8-15(7-10,9-21-14(16)17)19(11)13(20)12-4-2-3-5-18-12/h2-5,10-11,14H,6-9H2,1H3/t10-,11?,15+/m1/s1.
What are the key properties of [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone?
[(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone has a molecular weight of 296.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-(difluoromethoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 176763931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).