3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid

C20H16N2O3 — CID 164608754

IUPAC3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccncc3)c2)cc1
InChIInChI=1S/C20H16N2O3/c1-13-2-4-15(5-3-13)19(23)22-18-11-16(10-17(12-18)20(24)25)14-6-8-21-9-7-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyHCWLARVYMOBOGB-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.01
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid

3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid (PubChem CID 164608754) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid
PubChem CID164608754
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccncc3)c2)cc1
InChIInChI=1S/C20H16N2O3/c1-13-2-4-15(5-3-13)19(23)22-18-11-16(10-17(12-18)20(24)25)14-6-8-21-9-7-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyHCWLARVYMOBOGB-UHFFFAOYSA-N
XLogP4.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid (CID 164608754) is 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccncc3)c2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid?
The InChIKey is HCWLARVYMOBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-13-2-4-15(5-3-13)19(23)22-18-11-16(10-17(12-18)20(24)25)14-6-8-21-9-7-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid?
3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-5-pyridin-4-ylbenzoic acid is sourced from PubChem (CID 164608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).