(2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C17H16F2N2O3 — CID 134363757

IUPAC(2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1CO
InChIInChI=1S/C17H16F2N2O3/c1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-14(16(20)23)21-17(12)24-15(8)7-22/h2-3,5-6,8,15,22H,4,7H2,1H3,(H2,20,23)/t8-,15-/m1/s1
InChIKeyONXCVZKVHJMGAL-ANRSDYALSA-N
MW334.32 g/mol
LogP2.06
Rot. Bonds3

About (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363757) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363757
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name(2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1CO
InChIInChI=1S/C17H16F2N2O3/c1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-14(16(20)23)21-17(12)24-15(8)7-22/h2-3,5-6,8,15,22H,4,7H2,1H3,(H2,20,23)/t8-,15-/m1/s1
InChIKeyONXCVZKVHJMGAL-ANRSDYALSA-N
XLogP2.06
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363757) is (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is C[C@@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1CO.
What is the InChIKey of (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is ONXCVZKVHJMGAL-ANRSDYALSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-14(16(20)23)21-17(12)24-15(8)7-22/h2-3,5-6,8,15,22H,4,7H2,1H3,(H2,20,23)/t8-,15-/m1/s1.
What are the key properties of (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).