(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one

C16H19NO4 — CID 170989840

IUPAC(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one
SMILESC[C@@H]1COC(c2cc3c(cn2)OC(C)(C)[C@H](O)C3)=CC1=O
InChIInChI=1S/C16H19NO4/c1-9-8-20-13(6-12(9)18)11-4-10-5-15(19)16(2,3)21-14(10)7-17-11/h4,6-7,9,15,19H,5,8H2,1-3H3/t9-,15-/m1/s1
InChIKeyYWEADJGFUUXCFT-RFAUZJTJSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds1

About (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one

(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one (PubChem CID 170989840) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one
PubChem CID170989840
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one
SMILESC[C@@H]1COC(c2cc3c(cn2)OC(C)(C)[C@H](O)C3)=CC1=O
InChIInChI=1S/C16H19NO4/c1-9-8-20-13(6-12(9)18)11-4-10-5-15(19)16(2,3)21-14(10)7-17-11/h4,6-7,9,15,19H,5,8H2,1-3H3/t9-,15-/m1/s1
InChIKeyYWEADJGFUUXCFT-RFAUZJTJSA-N
XLogP1.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one (CID 170989840) is (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one is C[C@@H]1COC(c2cc3c(cn2)OC(C)(C)[C@H](O)C3)=CC1=O.
What is the InChIKey of (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one?
The InChIKey is YWEADJGFUUXCFT-RFAUZJTJSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9-8-20-13(6-12(9)18)11-4-10-5-15(19)16(2,3)21-14(10)7-17-11/h4,6-7,9,15,19H,5,8H2,1-3H3/t9-,15-/m1/s1.
What are the key properties of (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one?
(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one has a molecular weight of 289.33 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 170989840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).