2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

C20H17ClN2O2 — CID 46847894

IUPAC2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3ccccc3Cl)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-7-8-18(16(9-12)20(24)25)23-14-10-13(2)19(22-11-14)15-5-3-4-6-17(15)21/h3-11,23H,1-2H3,(H,24,25)
InChIKeyPLXBQFPFJPXSLH-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.46
Rot. Bonds4

About 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 46847894) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID46847894
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3ccccc3Cl)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-7-8-18(16(9-12)20(24)25)23-14-10-13(2)19(22-11-14)15-5-3-4-6-17(15)21/h3-11,23H,1-2H3,(H,24,25)
InChIKeyPLXBQFPFJPXSLH-UHFFFAOYSA-N
XLogP5.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic 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 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 46847894) is 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is Cc1ccc(Nc2cnc(-c3ccccc3Cl)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is PLXBQFPFJPXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-7-8-18(16(9-12)20(24)25)23-14-10-13(2)19(22-11-14)15-5-3-4-6-17(15)21/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 352.82 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 46847894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).