(2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C18H16F4N2O3 — CID 134363818

IUPAC(2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@@H](OC(F)F)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C18H16F4N2O3/c1-8(26-18(21)22)15-5-4-11-12(10-3-2-9(19)6-13(10)20)7-14(16(23)25)24-17(11)27-15/h2-3,6-8,15,18H,4-5H2,1H3,(H2,23,25)/t8-,15-/m1/s1
InChIKeyNCXQOCNCTWQCGB-ANRSDYALSA-N
MW384.33 g/mol
LogP3.45
Rot. Bonds5

About (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363818) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363818
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name(2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@@H](OC(F)F)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C18H16F4N2O3/c1-8(26-18(21)22)15-5-4-11-12(10-3-2-9(19)6-13(10)20)7-14(16(23)25)24-17(11)27-15/h2-3,6-8,15,18H,4-5H2,1H3,(H2,23,25)/t8-,15-/m1/s1
InChIKeyNCXQOCNCTWQCGB-ANRSDYALSA-N
XLogP3.45
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363818) is (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is C[C@@H](OC(F)F)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.
What is the InChIKey of (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is NCXQOCNCTWQCGB-ANRSDYALSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-8(26-18(21)22)15-5-4-11-12(10-3-2-9(19)6-13(10)20)7-14(16(23)25)24-17(11)27-15/h2-3,6-8,15,18H,4-5H2,1H3,(H2,23,25)/t8-,15-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).