4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

C16H16N2O3 — CID 72947679

IUPAC4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2cc(C)c(C)cc2C(=O)O)n1
InChIInChI=1S/C16H16N2O3/c1-9-7-12(13(16(20)21)8-10(9)2)15(19)18-14-6-4-5-11(3)17-14/h4-8H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyDICAYJOXNVIRMY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.96
Rot. Bonds3

About 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (PubChem CID 72947679) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
PubChem CID72947679
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2cc(C)c(C)cc2C(=O)O)n1
InChIInChI=1S/C16H16N2O3/c1-9-7-12(13(16(20)21)8-10(9)2)15(19)18-14-6-4-5-11(3)17-14/h4-8H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyDICAYJOXNVIRMY-UHFFFAOYSA-N
XLogP2.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The IUPAC name of 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (CID 72947679) is 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The canonical SMILES for 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is Cc1cccc(NC(=O)c2cc(C)c(C)cc2C(=O)O)n1.
What is the InChIKey of 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The InChIKey is DICAYJOXNVIRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-7-12(13(16(20)21)8-10(9)2)15(19)18-14-6-4-5-11(3)17-14/h4-8H,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is sourced from PubChem (CID 72947679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).