[5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

C36H34N4O6 — CID 118950995

IUPAC[5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1cc(C(=O)OC(=O)c2c(O)c(CC)c(-c3ccc4c(ccn4CC)c3)[nH]c2=O)c(=O)[nH]c1-c1ccc2c(ccn2CC)c1
InChIInChI=1S/C36H34N4O6/c1-5-20-19-26(33(42)37-30(20)23-9-11-27-21(17-23)13-15-39(27)7-3)35(44)46-36(45)29-32(41)25(6-2)31(38-34(29)43)24-10-12-28-22(18-24)14-16-40(28)8-4/h9-19H,5-8H2,1-4H3,(H,37,42)(H2,38,41,43)
InChIKeyYZIGTOONOCVUHP-UHFFFAOYSA-N
MW618.69 g/mol
LogP6.17
Rot. Bonds8

About [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

[5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 118950995) has the molecular formula C36H34N4O6 and a molecular weight of 618.69 g/mol. Its IUPAC name is [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID118950995
Molecular FormulaC36H34N4O6
Molecular Weight618.69 g/mol
Exact Mass618.25
IUPAC Name[5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1cc(C(=O)OC(=O)c2c(O)c(CC)c(-c3ccc4c(ccn4CC)c3)[nH]c2=O)c(=O)[nH]c1-c1ccc2c(ccn2CC)c1
InChIInChI=1S/C36H34N4O6/c1-5-20-19-26(33(42)37-30(20)23-9-11-27-21(17-23)13-15-39(27)7-3)35(44)46-36(45)29-32(41)25(6-2)31(38-34(29)43)24-10-12-28-22(18-24)14-16-40(28)8-4/h9-19H,5-8H2,1-4H3,(H,37,42)(H2,38,41,43)
InChIKeyYZIGTOONOCVUHP-UHFFFAOYSA-N
XLogP6.17
TPSA139.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 118950995) is [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is CCc1cc(C(=O)OC(=O)c2c(O)c(CC)c(-c3ccc4c(ccn4CC)c3)[nH]c2=O)c(=O)[nH]c1-c1ccc2c(ccn2CC)c1.
What is the InChIKey of [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YZIGTOONOCVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O6/c1-5-20-19-26(33(42)37-30(20)23-9-11-27-21(17-23)13-15-39(27)7-3)35(44)46-36(45)29-32(41)25(6-2)31(38-34(29)43)24-10-12-28-22(18-24)14-16-40(28)8-4/h9-19H,5-8H2,1-4H3,(H,37,42)(H2,38,41,43).
What are the key properties of [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
[5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 618.69 g/mol, XLogP of 6.17, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl] 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 118950995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).