ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate

C17H14N2O4 — CID 123162805

IUPACethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc(=O)c2ccncc2o1
InChIInChI=1S/C17H14N2O4/c1-2-22-17(21)19-13-6-4-3-5-11(13)15-9-14(20)12-7-8-18-10-16(12)23-15/h3-10H,2H2,1H3,(H,19,21)
InChIKeyJKJAPSGJPVTUIY-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.42
Rot. Bonds3

About ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate

ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate (PubChem CID 123162805) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
PubChem CID123162805
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Nameethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc(=O)c2ccncc2o1
InChIInChI=1S/C17H14N2O4/c1-2-22-17(21)19-13-6-4-3-5-11(13)15-9-14(20)12-7-8-18-10-16(12)23-15/h3-10H,2H2,1H3,(H,19,21)
InChIKeyJKJAPSGJPVTUIY-UHFFFAOYSA-N
XLogP3.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate (CID 123162805) is ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccccc1-c1cc(=O)c2ccncc2o1.
What is the InChIKey of ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
The InChIKey is JKJAPSGJPVTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-22-17(21)19-13-6-4-3-5-11(13)15-9-14(20)12-7-8-18-10-16(12)23-15/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate has a molecular weight of 310.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 123162805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).