2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one

C20H17NO3 — CID 134809496

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCc1ccccc1-c1nccc2c(=O)cc(C3=CCOCC3)oc12
InChIInChI=1S/C20H17NO3/c1-13-4-2-3-5-15(13)19-20-16(6-9-21-19)17(22)12-18(24-20)14-7-10-23-11-8-14/h2-7,9,12H,8,10-11H2,1H3
InChIKeyXIFGICXIPMOPDU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.97
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one

2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134809496) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one
PubChem CID134809496
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCc1ccccc1-c1nccc2c(=O)cc(C3=CCOCC3)oc12
InChIInChI=1S/C20H17NO3/c1-13-4-2-3-5-15(13)19-20-16(6-9-21-19)17(22)12-18(24-20)14-7-10-23-11-8-14/h2-7,9,12H,8,10-11H2,1H3
InChIKeyXIFGICXIPMOPDU-UHFFFAOYSA-N
XLogP3.97
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one (CID 134809496) is 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one is Cc1ccccc1-c1nccc2c(=O)cc(C3=CCOCC3)oc12.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is XIFGICXIPMOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-4-2-3-5-15(13)19-20-16(6-9-21-19)17(22)12-18(24-20)14-7-10-23-11-8-14/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-8-(2-methylphenyl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134809496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).