3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid

C27H19Cl2N3O4 — CID 58034146

IUPAC3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid
SMILESCN(c1ccc(Cl)cc1)c1ccc(C(=O)c2cc(C(=O)O)cc(C(=O)Nc3ccccc3Cl)c2)nc1
InChIInChI=1S/C27H19Cl2N3O4/c1-32(20-8-6-19(28)7-9-20)21-10-11-24(30-15-21)25(33)16-12-17(14-18(13-16)27(35)36)26(34)31-23-5-3-2-4-22(23)29/h2-15H,1H3,(H,31,34)(H,35,36)
InChIKeyXEQASBYRXCWQAP-UHFFFAOYSA-N
MW520.37 g/mol
LogP6.34
Rot. Bonds7

About 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid

3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid (PubChem CID 58034146) has the molecular formula C27H19Cl2N3O4 and a molecular weight of 520.37 g/mol. Its IUPAC name is 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid
PubChem CID58034146
Molecular FormulaC27H19Cl2N3O4
Molecular Weight520.37 g/mol
Exact Mass519.08
IUPAC Name3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid
SMILESCN(c1ccc(Cl)cc1)c1ccc(C(=O)c2cc(C(=O)O)cc(C(=O)Nc3ccccc3Cl)c2)nc1
InChIInChI=1S/C27H19Cl2N3O4/c1-32(20-8-6-19(28)7-9-20)21-10-11-24(30-15-21)25(33)16-12-17(14-18(13-16)27(35)36)26(34)31-23-5-3-2-4-22(23)29/h2-15H,1H3,(H,31,34)(H,35,36)
InChIKeyXEQASBYRXCWQAP-UHFFFAOYSA-N
XLogP6.34
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.37
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]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

3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-(4-hydroxy-N-methylanilino)benzoic acid
CID 91086381
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197716
methyl 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-phenoxybenzoate
CID 66628309
3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid
CID 58034072
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
2-(1,3-benzodioxole-4-carbonylamino)-5-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]benzoic acid
CID 58034944
N-(2,4-difluorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197711
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197652
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242360
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
[5-(4-chloro-N-methylanilino)-2-pyridinyl]-[3-[N-(cyclopropylmethyl)anilino]phenyl]methanone
CID 141274138
methyl 3-[4-(4-chloro-N-methylanilino)benzoyl]-5-(phenylcarbamoyl)benzoate
CID 66628498

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid (CID 58034146) is 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid is CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2cc(C(=O)O)cc(C(=O)Nc3ccccc3Cl)c2)nc1.
What is the InChIKey of 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid?
The InChIKey is XEQASBYRXCWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O4/c1-32(20-8-6-19(28)7-9-20)21-10-11-24(30-15-21)25(33)16-12-17(14-18(13-16)27(35)36)26(34)31-23-5-3-2-4-22(23)29/h2-15H,1H3,(H,31,34)(H,35,36).
What are the key properties of 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid?
3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid has a molecular weight of 520.37 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-5-[(2-chlorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 58034146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).