4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide

C17H17FN2O3 — CID 70106182

IUPAC4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide
SMILESCC1(C)Oc2ccncc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C17H17FN2O3/c1-17(2)15(21)14(12-9-19-8-7-13(12)23-17)20-16(22)10-3-5-11(18)6-4-10/h3-9,14-15,21H,1-2H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyJYNLALVXIZQBEF-CABCVRRESA-N
MW316.33 g/mol
LogP2.22
Rot. Bonds2

About 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide

4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide (PubChem CID 70106182) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide
PubChem CID70106182
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide
SMILESCC1(C)Oc2ccncc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C17H17FN2O3/c1-17(2)15(21)14(12-9-19-8-7-13(12)23-17)20-16(22)10-3-5-11(18)6-4-10/h3-9,14-15,21H,1-2H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyJYNLALVXIZQBEF-CABCVRRESA-N
XLogP2.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide (CID 70106182) is 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide is CC1(C)Oc2ccncc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O.
What is the InChIKey of 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide?
The InChIKey is JYNLALVXIZQBEF-CABCVRRESA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-17(2)15(21)14(12-9-19-8-7-13(12)23-17)20-16(22)10-3-5-11(18)6-4-10/h3-9,14-15,21H,1-2H3,(H,20,22)/t14-,15+/m1/s1.
What are the key properties of 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide?
4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide is sourced from PubChem (CID 70106182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).