(3S)-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 170989839

IUPAC(3S)-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+/m0/s1
InChIKeyYWEADJGFUUXCFT-BJOHPYRUSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds1

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

(3S)-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 170989839) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S)-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(3S)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one
PubChem CID170989839
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3S)-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+/m0/s1
InChIKeyYWEADJGFUUXCFT-BJOHPYRUSA-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

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

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Related Compounds

Amphichoterpenoid B
CID 170989399
Amphichoterpenoid C
CID 170989400
(+)-Amphichoterpenoid A
CID 170989401
(-)-Amphichoterpenoid A
CID 170989402
Amphichoterpenoid E
CID 170989840
3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethanol
CID 22313361
5-Heptyloxy-2-(4-(2-hydroxy-5-oxaoctyloxy)-2-fluorophenyl)pyridine
CID 19768417
(5-((2,2-dimethyltetrahydro-2H-pyran-4-yl)methoxy)-6-(2-fluoro-5-methoxyphenyl)pyridin-3-yl)methanol
CID 117760252
2-(4-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-3-ol
CID 172081154
2-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-3-ol
CID 172081167
2-[4-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-3-ol
CID 172081191
(1S,7S)-7-[4-(2-hydroxyethoxy)phenyl]-3-(methoxymethyl)-1-pyridin-2-ylhepta-3,4-diene-1,7-diol
CID 23919658

Frequently Asked Questions

What is the IUPAC name of (3S)-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 (3S)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one (CID 170989839) is (3S)-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 (3S)-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 (3S)-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 (3S)-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-BJOHPYRUSA-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+/m0/s1.
What are the key properties of (3S)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one?
(3S)-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 (3S)-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 170989839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).