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

C40H30N4O6 — CID 59288301

IUPAC2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-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=C/c4ccc(OC)cc4)cc(-c4cc(C(=O)O)ccn4)n3)c2)cc1
InChIInChI=1S/C40H30N4O6/c1-49-31-11-7-25(8-12-31)3-5-27-19-35(33-23-29(39(45)46)15-17-41-33)43-37(21-27)38-22-28(6-4-26-9-13-32(50-2)14-10-26)20-36(44-38)34-24-30(40(47)48)16-18-42-34/h3-24H,1-2H3,(H,45,46)(H,47,48)/b5-3+,6-4+
InChIKeyUGYGAKDWRQKSGT-GGWOSOGESA-N
MW662.70 g/mol
LogP8.02
Rot. Bonds11

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

2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 59288301) has the molecular formula C40H30N4O6 and a molecular weight of 662.70 g/mol. Its IUPAC name is 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID59288301
Molecular FormulaC40H30N4O6
Molecular Weight662.70 g/mol
Exact Mass662.22
IUPAC Name2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-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=C/c4ccc(OC)cc4)cc(-c4cc(C(=O)O)ccn4)n3)c2)cc1
InChIInChI=1S/C40H30N4O6/c1-49-31-11-7-25(8-12-31)3-5-27-19-35(33-23-29(39(45)46)15-17-41-33)43-37(21-27)38-22-28(6-4-26-9-13-32(50-2)14-10-26)20-36(44-38)34-24-30(40(47)48)16-18-42-34/h3-24H,1-2H3,(H,45,46)(H,47,48)/b5-3+,6-4+
InChIKeyUGYGAKDWRQKSGT-GGWOSOGESA-N
XLogP8.02
TPSA144.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.70
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

1-[4-[4-[4-[2,6-Bis(4-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45375927
methyl (2R,6S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54731329
6-[[2-[(6-Carboxy-2-pyridinyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl-[(4-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 155527172
US10752596, Example 11
CID 138532232
US10752596, Example 14
CID 138532234
US10752596, Example 21
CID 138532237
US10752596, Example 90
CID 138532288
US10752596, Example 3
CID 138532295
US10752596, Example 5
CID 138532300
US10752596, Example 69
CID 138532301
US10752596, Example 67
CID 138532305
US10752596, Example 66
CID 138532307

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid (CID 59288301) is 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-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=C/c4ccc(OC)cc4)cc(-c4cc(C(=O)O)ccn4)n3)c2)cc1.
What is the InChIKey of 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is UGYGAKDWRQKSGT-GGWOSOGESA-N. The full InChI is InChI=1S/C40H30N4O6/c1-49-31-11-7-25(8-12-31)3-5-27-19-35(33-23-29(39(45)46)15-17-41-33)43-37(21-27)38-22-28(6-4-26-9-13-32(50-2)14-10-26)20-36(44-38)34-24-30(40(47)48)16-18-42-34/h3-24H,1-2H3,(H,45,46)(H,47,48)/b5-3+,6-4+.
What are the key properties of 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid?
2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 662.70 g/mol, XLogP of 8.02, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 59288301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).