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

C17H14N2O5 — CID 123316636

IUPACethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(O)cc1-c1cc(=O)c2ccncc2o1
InChIInChI=1S/C17H14N2O5/c1-2-23-17(22)19-13-4-3-10(20)7-12(13)15-8-14(21)11-5-6-18-9-16(11)24-15/h3-9,20H,2H2,1H3,(H,19,22)
InChIKeyPGXFXPKNJFZWHI-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.13
Rot. Bonds3

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

ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate (PubChem CID 123316636) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
PubChem CID123316636
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Nameethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(O)cc1-c1cc(=O)c2ccncc2o1
InChIInChI=1S/C17H14N2O5/c1-2-23-17(22)19-13-4-3-10(20)7-12(13)15-8-14(21)11-5-6-18-9-16(11)24-15/h3-9,20H,2H2,1H3,(H,19,22)
InChIKeyPGXFXPKNJFZWHI-UHFFFAOYSA-N
XLogP3.13
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123162805
[3-(ethoxycarbonylamino)-5-hydroxy-4-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506693
[4-(ethoxycarbonylamino)-5-(6-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506658
[3-(ethoxycarbonylamino)-4-(4-oxopyrano[3,2-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506681
ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123271681
[4-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506848
ethyl N-[2-(2,8-dioxo-1H-pyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123954199
[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506704
[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506720
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
CID 123379618
ethyl N-[2-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl]carbamate
CID 123159842

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate (CID 123316636) is ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccc(O)cc1-c1cc(=O)c2ccncc2o1.
What is the InChIKey of ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
The InChIKey is PGXFXPKNJFZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-2-23-17(22)19-13-4-3-10(20)7-12(13)15-8-14(21)11-5-6-18-9-16(11)24-15/h3-9,20H,2H2,1H3,(H,19,22).
What are the key properties of ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate?
ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate has a molecular weight of 326.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 123316636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).