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

C32H28F4N4O4 — CID 159230599

IUPAC(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.C[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/2C16H14F2N2O2/c2*1-8-2-4-11-12(10-5-3-9(17)6-13(10)18)7-14(15(19)21)20-16(11)22-8/h2*3,5-8H,2,4H2,1H3,(H2,19,21)/t2*8-/m10/s1
InChIKeyKSVRNEXTBJHLCU-RMTNWKGQSA-N
MW608.59 g/mol
LogP5.68
Rot. Bonds4

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

(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 159230599) has the molecular formula C32H28F4N4O4 and a molecular weight of 608.59 g/mol. Its IUPAC name is (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID159230599
Molecular FormulaC32H28F4N4O4
Molecular Weight608.59 g/mol
Exact Mass608.20
IUPAC Name(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.C[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/2C16H14F2N2O2/c2*1-8-2-4-11-12(10-5-3-9(17)6-13(10)18)7-14(15(19)21)20-16(11)22-8/h2*3,5-8H,2,4H2,1H3,(H2,19,21)/t2*8-/m10/s1
InChIKeyKSVRNEXTBJHLCU-RMTNWKGQSA-N
XLogP5.68
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.59
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;ethyl (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;ethyl (2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
CID 159224273
(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;methyl thiohypofluorite
CID 157143150
(2S)-2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363887
5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363734
2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 142316375
(2R)-5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396225
1-[(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethenamine
CID 134396261
ethyl 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134363816
(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-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;(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 161065883
(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396409
5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 134396547
ethyl 5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methanol
CID 142316400

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 159230599) is (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is C[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.C[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.
What is the InChIKey of (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is KSVRNEXTBJHLCU-RMTNWKGQSA-N. The full InChI is InChI=1S/2C16H14F2N2O2/c2*1-8-2-4-11-12(10-5-3-9(17)6-13(10)18)7-14(15(19)21)20-16(11)22-8/h2*3,5-8H,2,4H2,1H3,(H2,19,21)/t2*8-/m10/s1.
What are the key properties of (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 608.59 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 159230599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).