1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide

C20H19N3O3 — CID 168942286

IUPAC1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(C(N)=O)C3)ccc12
InChIInChI=1S/C20H19N3O3/c1-12-4-2-3-5-14(12)16-10-18(24)26-20-15(16)6-7-17(22-20)23-9-8-13(11-23)19(21)25/h2-7,10,13H,8-9,11H2,1H3,(H2,21,25)
InChIKeySDLSDNJKVHAXAR-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds3

About 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide

1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide (PubChem CID 168942286) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide
PubChem CID168942286
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(C(N)=O)C3)ccc12
InChIInChI=1S/C20H19N3O3/c1-12-4-2-3-5-14(12)16-10-18(24)26-20-15(16)6-7-17(22-20)23-9-8-13(11-23)19(21)25/h2-7,10,13H,8-9,11H2,1H3,(H2,21,25)
InChIKeySDLSDNJKVHAXAR-UHFFFAOYSA-N
XLogP2.48
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide 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 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide (CID 168942286) is 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide is Cc1ccccc1-c1cc(=O)oc2nc(N3CCC(C(N)=O)C3)ccc12.
What is the InChIKey of 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide?
The InChIKey is SDLSDNJKVHAXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-4-2-3-5-14(12)16-10-18(24)26-20-15(16)6-7-17(22-20)23-9-8-13(11-23)19(21)25/h2-7,10,13H,8-9,11H2,1H3,(H2,21,25).
What are the key properties of 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide?
1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 168942286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).