2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid

C32H22N4O7 — CID 59288314

IUPAC2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
SMILESCOc1ccc(/C=C/c2cc(-c3cc(C(=O)O)ccn3)nc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)c2)cc1
InChIInChI=1S/C32H22N4O7/c1-43-23-6-4-18(5-7-23)2-3-19-12-26(24-14-20(30(37)38)8-10-33-24)35-27(13-19)29-17-22(32(41)42)16-28(36-29)25-15-21(31(39)40)9-11-34-25/h2-17H,1H3,(H,37,38)(H,39,40)(H,41,42)/b3-2+
InChIKeyFNNBUNYJAAZKIX-NSCUHMNNSA-N
MW574.55 g/mol
LogP5.54
Rot. Bonds9

About 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 59288314) has the molecular formula C32H22N4O7 and a molecular weight of 574.55 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID59288314
Molecular FormulaC32H22N4O7
Molecular Weight574.55 g/mol
Exact Mass574.15
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
SMILESCOc1ccc(/C=C/c2cc(-c3cc(C(=O)O)ccn3)nc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)c2)cc1
InChIInChI=1S/C32H22N4O7/c1-43-23-6-4-18(5-7-23)2-3-19-12-26(24-14-20(30(37)38)8-10-33-24)35-27(13-19)29-17-22(32(41)42)16-28(36-29)25-15-21(31(39)40)9-11-34-25/h2-17H,1H3,(H,37,38)(H,39,40)(H,41,42)/b3-2+
InChIKeyFNNBUNYJAAZKIX-NSCUHMNNSA-N
XLogP5.54
TPSA172.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid (CID 59288314) is 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid is COc1ccc(/C=C/c2cc(-c3cc(C(=O)O)ccn3)nc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)c2)cc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is FNNBUNYJAAZKIX-NSCUHMNNSA-N. The full InChI is InChI=1S/C32H22N4O7/c1-43-23-6-4-18(5-7-23)2-3-19-12-26(24-14-20(30(37)38)8-10-33-24)35-27(13-19)29-17-22(32(41)42)16-28(36-29)25-15-21(31(39)40)9-11-34-25/h2-17H,1H3,(H,37,38)(H,39,40)(H,41,42)/b3-2+.
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 574.55 g/mol, XLogP of 5.54, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 59288314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).