1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one

C16H16N2O3 — CID 23049056

IUPAC1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one
SMILESCOc1cccn(C2=CC(C)(C)Oc3ccncc32)c1=O
InChIInChI=1S/C16H16N2O3/c1-16(2)9-12(11-10-17-7-6-13(11)21-16)18-8-4-5-14(20-3)15(18)19/h4-10H,1-3H3
InChIKeyLHHWBDIEUVCFAZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one

1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one (PubChem CID 23049056) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one
PubChem CID23049056
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one
SMILESCOc1cccn(C2=CC(C)(C)Oc3ccncc32)c1=O
InChIInChI=1S/C16H16N2O3/c1-16(2)9-12(11-10-17-7-6-13(11)21-16)18-8-4-5-14(20-3)15(18)19/h4-10H,1-3H3
InChIKeyLHHWBDIEUVCFAZ-UHFFFAOYSA-N
XLogP2.31
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one (CID 23049056) is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one is COc1cccn(C2=CC(C)(C)Oc3ccncc32)c1=O.
What is the InChIKey of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one?
The InChIKey is LHHWBDIEUVCFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2)9-12(11-10-17-7-6-13(11)21-16)18-8-4-5-14(20-3)15(18)19/h4-10H,1-3H3.
What are the key properties of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one?
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one is sourced from PubChem (CID 23049056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).