5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid

C20H18N2O2 — CID 46847698

IUPAC5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid
SMILESCc1ccc(Nc2cnc(-c3ccccc3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C20H18N2O2/c1-13-8-9-18(17(10-13)20(23)24)22-16-11-14(2)19(21-12-16)15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,23,24)
InChIKeyGNILKTYMFCGLEY-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.81
Rot. Bonds4

About 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid

5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid (PubChem CID 46847698) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid
PubChem CID46847698
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid
SMILESCc1ccc(Nc2cnc(-c3ccccc3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C20H18N2O2/c1-13-8-9-18(17(10-13)20(23)24)22-16-11-14(2)19(21-12-16)15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,23,24)
InChIKeyGNILKTYMFCGLEY-UHFFFAOYSA-N
XLogP4.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid (CID 46847698) is 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid is Cc1ccc(Nc2cnc(-c3ccccc3)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid?
The InChIKey is GNILKTYMFCGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-8-9-18(17(10-13)20(23)24)22-16-11-14(2)19(21-12-16)15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,23,24).
What are the key properties of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid?
5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid has a molecular weight of 318.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 46847698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).