4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid

C26H18N4O6 — CID 102503336

IUPAC4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)Nc4ccc(C(=O)O)cc4)ccn3)c2)cc1
InChIInChI=1S/C26H18N4O6/c31-23(29-19-5-1-15(2-6-19)25(33)34)17-9-11-27-21(13-17)22-14-18(10-12-28-22)24(32)30-20-7-3-16(4-8-20)26(35)36/h1-14H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKeyMXUDZKBKANUHIK-UHFFFAOYSA-N
MW482.45 g/mol
LogP4.04
Rot. Bonds7

About 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid

4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid (PubChem CID 102503336) has the molecular formula C26H18N4O6 and a molecular weight of 482.45 g/mol. Its IUPAC name is 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
PubChem CID102503336
Molecular FormulaC26H18N4O6
Molecular Weight482.45 g/mol
Exact Mass482.12
IUPAC Name4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)Nc4ccc(C(=O)O)cc4)ccn3)c2)cc1
InChIInChI=1S/C26H18N4O6/c31-23(29-19-5-1-15(2-6-19)25(33)34)17-9-11-27-21(13-17)22-14-18(10-12-28-22)24(32)30-20-7-3-16(4-8-20)26(35)36/h1-14H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKeyMXUDZKBKANUHIK-UHFFFAOYSA-N
XLogP4.04
TPSA158.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyridine-4-carboxamide
CID 10193154
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
2-[[2-[4-(dicarboxymethylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]propanedioic acid
CID 102472215
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid (CID 102503336) is 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)Nc4ccc(C(=O)O)cc4)ccn3)c2)cc1.
What is the InChIKey of 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid?
The InChIKey is MXUDZKBKANUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O6/c31-23(29-19-5-1-15(2-6-19)25(33)34)17-9-11-27-21(13-17)22-14-18(10-12-28-22)24(32)30-20-7-3-16(4-8-20)26(35)36/h1-14H,(H,29,31)(H,30,32)(H,33,34)(H,35,36).
What are the key properties of 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid?
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid has a molecular weight of 482.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 102503336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).