7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

C21H22N2O3 — CID 168942087

IUPAC7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCOCC1CCN(c2ccc3c(-c4ccccc4C)cc(=O)oc3n2)C1
InChIInChI=1S/C21H22N2O3/c1-14-5-3-4-6-16(14)18-11-20(24)26-21-17(18)7-8-19(22-21)23-10-9-15(12-23)13-25-2/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeyIPWKLVTXIJPYFX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.64
Rot. Bonds4

About 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (PubChem CID 168942087) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
PubChem CID168942087
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCOCC1CCN(c2ccc3c(-c4ccccc4C)cc(=O)oc3n2)C1
InChIInChI=1S/C21H22N2O3/c1-14-5-3-4-6-16(14)18-11-20(24)26-21-17(18)7-8-19(22-21)23-10-9-15(12-23)13-25-2/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeyIPWKLVTXIJPYFX-UHFFFAOYSA-N
XLogP3.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (CID 168942087) is 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is COCC1CCN(c2ccc3c(-c4ccccc4C)cc(=O)oc3n2)C1.
What is the InChIKey of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is IPWKLVTXIJPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-5-3-4-6-16(14)18-11-20(24)26-21-17(18)7-8-19(22-21)23-10-9-15(12-23)13-25-2/h3-8,11,15H,9-10,12-13H2,1-2H3.
What are the key properties of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methoxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).