[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate

C19H11N3O5 — CID 140506791

IUPAC[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(-c2cc(=O)c3ncc(=O)[nH]c3o2)cc1)c1cccnc1
InChIInChI=1S/C19H11N3O5/c23-14-8-15(27-18-17(14)21-10-16(24)22-18)11-3-5-13(6-4-11)26-19(25)12-2-1-7-20-9-12/h1-10H,(H,22,24)
InChIKeyAJZOTJBVXPKLGC-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.16
Rot. Bonds3

About [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate

[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate (PubChem CID 140506791) has the molecular formula C19H11N3O5 and a molecular weight of 361.31 g/mol. Its IUPAC name is [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate
PubChem CID140506791
Molecular FormulaC19H11N3O5
Molecular Weight361.31 g/mol
Exact Mass361.07
IUPAC Name[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(-c2cc(=O)c3ncc(=O)[nH]c3o2)cc1)c1cccnc1
InChIInChI=1S/C19H11N3O5/c23-14-8-15(27-18-17(14)21-10-16(24)22-18)11-3-5-13(6-4-11)26-19(25)12-2-1-7-20-9-12/h1-10H,(H,22,24)
InChIKeyAJZOTJBVXPKLGC-UHFFFAOYSA-N
XLogP2.16
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(4,8-dioxo-5H-pyrano[3,2-b]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506802
[4-(5-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506708
[4-(8-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506613
[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate
CID 23411845
[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
CID 143295280
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
ethyl N-[2-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl]carbamate
CID 123159842
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
[4-oxo-3-(4-phenylphenoxy)chromen-7-yl] pyridine-3-carboxylate
CID 2245682
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
[4-[(4-decoxyphenyl)diazenyl]phenyl] pyridine-3-carboxylate
CID 101147347
[3-(ethoxycarbonylamino)-4-(4-oxopyrano[3,2-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506681

Frequently Asked Questions

What is the IUPAC name of [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate?
The IUPAC name of [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate (CID 140506791) is [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate?
The canonical SMILES for [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate is O=C(Oc1ccc(-c2cc(=O)c3ncc(=O)[nH]c3o2)cc1)c1cccnc1.
What is the InChIKey of [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate?
The InChIKey is AJZOTJBVXPKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O5/c23-14-8-15(27-18-17(14)21-10-16(24)22-18)11-3-5-13(6-4-11)26-19(25)12-2-1-7-20-9-12/h1-10H,(H,22,24).
What are the key properties of [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate?
[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate has a molecular weight of 361.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 140506791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).