2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C17H15F3N2O2 — CID 142316375

IUPAC2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C(F)F)O3)c(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-8-2-3-9(12(18)6-8)11-7-13(16(21)23)22-17-10(11)4-5-14(24-17)15(19)20/h2-3,6-7,14-15H,4-5H2,1H3,(H2,21,23)
InChIKeyFXWCIVSLWVYLIH-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.25
Rot. Bonds3

About 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 142316375) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID142316375
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2CCC(C(F)F)O3)c(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-8-2-3-9(12(18)6-8)11-7-13(16(21)23)22-17-10(11)4-5-14(24-17)15(19)20/h2-3,6-7,14-15H,4-5H2,1H3,(H2,21,23)
InChIKeyFXWCIVSLWVYLIH-UHFFFAOYSA-N
XLogP3.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 142316375) is 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is Cc1ccc(-c2cc(C(N)=O)nc3c2CCC(C(F)F)O3)c(F)c1.
What is the InChIKey of 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is FXWCIVSLWVYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-8-2-3-9(12(18)6-8)11-7-13(16(21)23)22-17-10(11)4-5-14(24-17)15(19)20/h2-3,6-7,14-15H,4-5H2,1H3,(H2,21,23).
What are the key properties of 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 142316375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).