2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine

C52H44N8O8 — CID 160626677

IUPAC2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
SMILESCCc1ccnc(-c2cc(CC)cc(-c3cc(CC)cc(-c4cc(CC)ccn4)n3)n2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)n2)c1
InChIInChI=1S/C28H30N4.C24H14N4O8/c1-5-19-9-11-29-23(13-19)25-15-21(7-3)17-27(31-25)28-18-22(8-4)16-26(32-28)24-14-20(6-2)10-12-30-24;29-21(30)11-1-3-25-15(5-11)17-7-13(23(33)34)9-19(27-17)20-10-14(24(35)36)8-18(28-20)16-6-12(22(31)32)2-4-26-16/h9-18H,5-8H2,1-4H3;1-10H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyRHJUGVDEAPAEOO-UHFFFAOYSA-N
MW908.97 g/mol
LogP9.58
Rot. Bonds14

About 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine

2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine (PubChem CID 160626677) has the molecular formula C52H44N8O8 and a molecular weight of 908.97 g/mol. Its IUPAC name is 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
PubChem CID160626677
Molecular FormulaC52H44N8O8
Molecular Weight908.97 g/mol
Exact Mass908.33
IUPAC Name2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
SMILESCCc1ccnc(-c2cc(CC)cc(-c3cc(CC)cc(-c4cc(CC)ccn4)n3)n2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)n2)c1
InChIInChI=1S/C28H30N4.C24H14N4O8/c1-5-19-9-11-29-23(13-19)25-15-21(7-3)17-27(31-25)28-18-22(8-4)16-26(32-28)24-14-20(6-2)10-12-30-24;29-21(30)11-1-3-25-15(5-11)17-7-13(23(33)34)9-19(27-17)20-10-14(24(35)36)8-18(28-20)16-6-12(22(31)32)2-4-26-16/h9-18H,5-8H2,1-4H3;1-10H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyRHJUGVDEAPAEOO-UHFFFAOYSA-N
XLogP9.58
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500908.97
LogP ≤ 59.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine?
The IUPAC name of 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine (CID 160626677) is 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine is CCc1ccnc(-c2cc(CC)cc(-c3cc(CC)cc(-c4cc(CC)ccn4)n3)n2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)n2)c1.
What is the InChIKey of 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine?
The InChIKey is RHJUGVDEAPAEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4.C24H14N4O8/c1-5-19-9-11-29-23(13-19)25-15-21(7-3)17-27(31-25)28-18-22(8-4)16-26(32-28)24-14-20(6-2)10-12-30-24;29-21(30)11-1-3-25-15(5-11)17-7-13(23(33)34)9-19(27-17)20-10-14(24(35)36)8-18(28-20)16-6-12(22(31)32)2-4-26-16/h9-18H,5-8H2,1-4H3;1-10H,(H,29,30)(H,31,32)(H,33,34)(H,35,36).
What are the key properties of 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine?
2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine has a molecular weight of 908.97 g/mol, XLogP of 9.58, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine is sourced from PubChem (CID 160626677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).