2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one

C21H22N2O3 — CID 134810487

IUPAC2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCc1ccccc1-c1nccc2c(=O)cc(N(C)C3CCOCC3)oc12
InChIInChI=1S/C21H22N2O3/c1-14-5-3-4-6-16(14)20-21-17(7-10-22-20)18(24)13-19(26-21)23(2)15-8-11-25-12-9-15/h3-7,10,13,15H,8-9,11-12H2,1-2H3
InChIKeyZPUWVUXVQWILIN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.78
Rot. Bonds3

About 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one

2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134810487) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one
PubChem CID134810487
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCc1ccccc1-c1nccc2c(=O)cc(N(C)C3CCOCC3)oc12
InChIInChI=1S/C21H22N2O3/c1-14-5-3-4-6-16(14)20-21-17(7-10-22-20)18(24)13-19(26-21)23(2)15-8-11-25-12-9-15/h3-7,10,13,15H,8-9,11-12H2,1-2H3
InChIKeyZPUWVUXVQWILIN-UHFFFAOYSA-N
XLogP3.78
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one (CID 134810487) is 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one is Cc1ccccc1-c1nccc2c(=O)cc(N(C)C3CCOCC3)oc12.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is ZPUWVUXVQWILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-5-3-4-6-16(14)20-21-17(7-10-22-20)18(24)13-19(26-21)23(2)15-8-11-25-12-9-15/h3-7,10,13,15H,8-9,11-12H2,1-2H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 350.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134810487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).