ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate

C24H28N2O4 — CID 168942176

IUPACethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
SMILESCC.COC(=O)C1CCCCN1c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C22H22N2O4.C2H6/c1-14-7-3-4-8-15(14)17-13-20(25)28-21-16(17)10-11-19(23-21)24-12-6-5-9-18(24)22(26)27-2;1-2/h3-4,7-8,10-11,13,18H,5-6,9,12H2,1-2H3;1-2H3
InChIKeyKWFZHBQMXYKHIP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.72
Rot. Bonds3

About ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate

ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate (PubChem CID 168942176) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
PubChem CID168942176
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Nameethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
SMILESCC.COC(=O)C1CCCCN1c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C22H22N2O4.C2H6/c1-14-7-3-4-8-15(14)17-13-20(25)28-21-16(17)10-11-19(23-21)24-12-6-5-9-18(24)22(26)27-2;1-2/h3-4,7-8,10-11,13,18H,5-6,9,12H2,1-2H3;1-2H3
InChIKeyKWFZHBQMXYKHIP-UHFFFAOYSA-N
XLogP4.72
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate 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 ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate?
The IUPAC name of ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate (CID 168942176) is ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate.
What is the SMILES notation for ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate?
The canonical SMILES for ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate is CC.COC(=O)C1CCCCN1c1ccc2c(-c3ccccc3C)cc(=O)oc2n1.
What is the InChIKey of ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate?
The InChIKey is KWFZHBQMXYKHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4.C2H6/c1-14-7-3-4-8-15(14)17-13-20(25)28-21-16(17)10-11-19(23-21)24-12-6-5-9-18(24)22(26)27-2;1-2/h3-4,7-8,10-11,13,18H,5-6,9,12H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate?
ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate is sourced from PubChem (CID 168942176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).