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

C36H26N4O4 — CID 54006414

IUPAC6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(C)cc6)cc(C(=O)O)n5)n4)n3)c2)cc1
InChIInChI=1S/C36H26N4O4/c1-21-9-13-23(14-10-21)25-17-31(39-33(19-25)35(41)42)29-7-3-5-27(37-29)28-6-4-8-30(38-28)32-18-26(20-34(40-32)36(43)44)24-15-11-22(2)12-16-24/h3-20H,1-2H3,(H,41,42)(H,43,44)
InChIKeyKPENJDNUJJVPAW-UHFFFAOYSA-N
MW578.63 g/mol
LogP7.61
Rot. Bonds7

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

6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 54006414) has the molecular formula C36H26N4O4 and a molecular weight of 578.63 g/mol. Its IUPAC name is 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid
PubChem CID54006414
Molecular FormulaC36H26N4O4
Molecular Weight578.63 g/mol
Exact Mass578.20
IUPAC Name6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(C)cc6)cc(C(=O)O)n5)n4)n3)c2)cc1
InChIInChI=1S/C36H26N4O4/c1-21-9-13-23(14-10-21)25-17-31(39-33(19-25)35(41)42)29-7-3-5-27(37-29)28-6-4-8-30(38-28)32-18-26(20-34(40-32)36(43)44)24-15-11-22(2)12-16-24/h3-20H,1-2H3,(H,41,42)(H,43,44)
InChIKeyKPENJDNUJJVPAW-UHFFFAOYSA-N
XLogP7.61
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid (CID 54006414) is 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(C)cc6)cc(C(=O)O)n5)n4)n3)c2)cc1.
What is the InChIKey of 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is KPENJDNUJJVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O4/c1-21-9-13-23(14-10-21)25-17-31(39-33(19-25)35(41)42)29-7-3-5-27(37-29)28-6-4-8-30(38-28)32-18-26(20-34(40-32)36(43)44)24-15-11-22(2)12-16-24/h3-20H,1-2H3,(H,41,42)(H,43,44).
What are the key properties of 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid?
6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 578.63 g/mol, XLogP of 7.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-[6-carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 54006414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).