(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C17H15F3N2O3 — CID 134363745

IUPAC(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)O[C@@H](COC(F)F)CC2
InChIInChI=1S/C17H15F3N2O3/c18-10-3-1-9(2-4-10)13-7-14(15(21)23)22-16-12(13)6-5-11(25-16)8-24-17(19)20/h1-4,7,11,17H,5-6,8H2,(H2,21,23)/t11-/m1/s1
InChIKeyLCYHJVAJRLFZEI-LLVKDONJSA-N
MW352.31 g/mol
LogP2.92
Rot. Bonds5

About (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363745) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363745
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)O[C@@H](COC(F)F)CC2
InChIInChI=1S/C17H15F3N2O3/c18-10-3-1-9(2-4-10)13-7-14(15(21)23)22-16-12(13)6-5-11(25-16)8-24-17(19)20/h1-4,7,11,17H,5-6,8H2,(H2,21,23)/t11-/m1/s1
InChIKeyLCYHJVAJRLFZEI-LLVKDONJSA-N
XLogP2.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363745) is (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)O[C@@H](COC(F)F)CC2.
What is the InChIKey of (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is LCYHJVAJRLFZEI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-10-3-1-9(2-4-10)13-7-14(15(21)23)22-16-12(13)6-5-11(25-16)8-24-17(19)20/h1-4,7,11,17H,5-6,8H2,(H2,21,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).