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

C17H14N2O5 — CID 123379618

IUPACethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(O)c1-c1cc(=O)c2cccnc2o1
InChIInChI=1S/C17H14N2O5/c1-2-23-17(22)19-11-6-3-7-12(20)15(11)14-9-13(21)10-5-4-8-18-16(10)24-14/h3-9,20H,2H2,1H3,(H,19,22)
InChIKeyCXAZAVHOSPYPTN-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.13
Rot. Bonds3

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

ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 123379618) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
PubChem CID123379618
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Nameethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(O)c1-c1cc(=O)c2cccnc2o1
InChIInChI=1S/C17H14N2O5/c1-2-23-17(22)19-11-6-3-7-12(20)15(11)14-9-13(21)10-5-4-8-18-16(10)24-14/h3-9,20H,2H2,1H3,(H,19,22)
InChIKeyCXAZAVHOSPYPTN-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

Analyze ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123271681
2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one
CID 11701576
[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506720
[3-(ethoxycarbonylamino)-5-hydroxy-4-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506693
ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123162805
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506704
ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123316636
ethyl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate;hydrochloride
CID 118704537
2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
CID 67107026
ethyl N-[2-(2,8-dioxo-1H-pyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123954199
[4-(ethoxycarbonylamino)-5-(6-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506658

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate (CID 123379618) is ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(O)c1-c1cc(=O)c2cccnc2o1.
What is the InChIKey of ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is CXAZAVHOSPYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-2-23-17(22)19-11-6-3-7-12(20)15(11)14-9-13(21)10-5-4-8-18-16(10)24-14/h3-9,20H,2H2,1H3,(H,19,22).
What are the key properties of ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate?
ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]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-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 123379618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).