4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid

C15H16N2O3 — CID 82123949

IUPAC4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1N(C)Cc1ccncc1
InChIInChI=1S/C15H16N2O3/c1-17(10-11-5-7-16-8-6-11)13-9-12(15(18)19)3-4-14(13)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKNQHMFJRXDYXFF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.42
Rot. Bonds5

About 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid

4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid (PubChem CID 82123949) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
PubChem CID82123949
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1N(C)Cc1ccncc1
InChIInChI=1S/C15H16N2O3/c1-17(10-11-5-7-16-8-6-11)13-9-12(15(18)19)3-4-14(13)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKNQHMFJRXDYXFF-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid (CID 82123949) is 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid is COc1ccc(C(=O)O)cc1N(C)Cc1ccncc1.
What is the InChIKey of 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid?
The InChIKey is KNQHMFJRXDYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(10-11-5-7-16-8-6-11)13-9-12(15(18)19)3-4-14(13)20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid?
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 82123949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).