2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one

C17H16N2O3 — CID 134810406

IUPAC2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCOc1cccc(-c2nccc3c(=O)cc(N(C)C)oc23)c1
InChIInChI=1S/C17H16N2O3/c1-19(2)15-10-14(20)13-7-8-18-16(17(13)22-15)11-5-4-6-12(9-11)21-3/h4-10H,1-3H3
InChIKeyXVUWIGMESHSCNW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.93
Rot. Bonds3

About 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one

2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134810406) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
PubChem CID134810406
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCOc1cccc(-c2nccc3c(=O)cc(N(C)C)oc23)c1
InChIInChI=1S/C17H16N2O3/c1-19(2)15-10-14(20)13-7-8-18-16(17(13)22-15)11-5-4-6-12(9-11)21-3/h4-10H,1-3H3
InChIKeyXVUWIGMESHSCNW-UHFFFAOYSA-N
XLogP2.93
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one (CID 134810406) is 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one is COc1cccc(-c2nccc3c(=O)cc(N(C)C)oc23)c1.
What is the InChIKey of 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is XVUWIGMESHSCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19(2)15-10-14(20)13-7-8-18-16(17(13)22-15)11-5-4-6-12(9-11)21-3/h4-10H,1-3H3.
What are the key properties of 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one?
2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134810406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).