2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid

C15H14N2O4 — CID 118197921

IUPAC2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid
SMILESCOc1c(C(=O)O)cccc1N(C)C(=O)c1ccncc1
InChIInChI=1S/C15H14N2O4/c1-17(14(18)10-6-8-16-9-7-10)12-5-3-4-11(15(19)20)13(12)21-2/h3-9H,1-2H3,(H,19,20)
InChIKeyOYNHYNAHFDDYDW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.07
Rot. Bonds4

About 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid

2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid (PubChem CID 118197921) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid
PubChem CID118197921
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid
SMILESCOc1c(C(=O)O)cccc1N(C)C(=O)c1ccncc1
InChIInChI=1S/C15H14N2O4/c1-17(14(18)10-6-8-16-9-7-10)12-5-3-4-11(15(19)20)13(12)21-2/h3-9H,1-2H3,(H,19,20)
InChIKeyOYNHYNAHFDDYDW-UHFFFAOYSA-N
XLogP2.07
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid (CID 118197921) is 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid is COc1c(C(=O)O)cccc1N(C)C(=O)c1ccncc1.
What is the InChIKey of 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is OYNHYNAHFDDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17(14(18)10-6-8-16-9-7-10)12-5-3-4-11(15(19)20)13(12)21-2/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid?
2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[methyl(pyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 118197921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).