5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

C15H14N2O3 — CID 72947476

IUPAC5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C)n2)c(C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-9-6-7-11(12(8-9)15(19)20)14(18)17-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyISJUGEUIJOHRQC-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

About 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (PubChem CID 72947476) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
PubChem CID72947476
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C)n2)c(C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-9-6-7-11(12(8-9)15(19)20)14(18)17-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyISJUGEUIJOHRQC-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The IUPAC name of 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (CID 72947476) is 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The canonical SMILES for 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is Cc1ccc(C(=O)Nc2cccc(C)n2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The InChIKey is ISJUGEUIJOHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-6-7-11(12(8-9)15(19)20)14(18)17-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is sourced from PubChem (CID 72947476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).