ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate

C16H13N3O5 — CID 123271681

IUPACethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(O)c1-c1cc(=O)c2ncncc2o1
InChIInChI=1S/C16H13N3O5/c1-2-23-16(22)19-9-4-3-5-10(20)14(9)12-6-11(21)15-13(24-12)7-17-8-18-15/h3-8,20H,2H2,1H3,(H,19,22)
InChIKeyJIFXKPQKDXGAAO-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.52
Rot. Bonds3

About ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate

ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate (PubChem CID 123271681) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
PubChem CID123271681
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Nameethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(O)c1-c1cc(=O)c2ncncc2o1
InChIInChI=1S/C16H13N3O5/c1-2-23-16(22)19-9-4-3-5-10(20)14(9)12-6-11(21)15-13(24-12)7-17-8-18-15/h3-8,20H,2H2,1H3,(H,19,22)
InChIKeyJIFXKPQKDXGAAO-UHFFFAOYSA-N
XLogP2.52
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
CID 123379618
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
ethyl N-[2-(2,8-dioxo-1H-pyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123954199
ethyl N-[2-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl]carbamate
CID 123159842
ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123316636
[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
[4-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506848
[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-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123152524

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate (CID 123271681) is ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(O)c1-c1cc(=O)c2ncncc2o1.
What is the InChIKey of ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate?
The InChIKey is JIFXKPQKDXGAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-2-23-16(22)19-9-4-3-5-10(20)14(9)12-6-11(21)15-13(24-12)7-17-8-18-15/h3-8,20H,2H2,1H3,(H,19,22).
What are the key properties of ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate?
ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate has a molecular weight of 327.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate is sourced from PubChem (CID 123271681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).