4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid

C15H16N2O4 — CID 103347714

IUPAC4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
SMILESCOc1cccc(CNc2cc(C(=O)O)ccc2OC)n1
InChIInChI=1S/C15H16N2O4/c1-20-13-7-6-10(15(18)19)8-12(13)16-9-11-4-3-5-14(17-11)21-2/h3-8,16H,9H2,1-2H3,(H,18,19)
InChIKeyXPJBUJAMCHBLCQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.41
Rot. Bonds6

About 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid

4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid (PubChem CID 103347714) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
PubChem CID103347714
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
SMILESCOc1cccc(CNc2cc(C(=O)O)ccc2OC)n1
InChIInChI=1S/C15H16N2O4/c1-20-13-7-6-10(15(18)19)8-12(13)16-9-11-4-3-5-14(17-11)21-2/h3-8,16H,9H2,1-2H3,(H,18,19)
InChIKeyXPJBUJAMCHBLCQ-UHFFFAOYSA-N
XLogP2.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63743799
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
4-methoxy-3-(pyridin-2-ylmethylamino)benzoate
CID 7201409
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
3-[2-(tert-butylamino)ethylamino]-4-methoxybenzoic acid
CID 107445657
3-[(5-iodofuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742467
3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methoxybenzoic acid
CID 63743460
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid (CID 103347714) is 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid is COc1cccc(CNc2cc(C(=O)O)ccc2OC)n1.
What is the InChIKey of 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid?
The InChIKey is XPJBUJAMCHBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-7-6-10(15(18)19)8-12(13)16-9-11-4-3-5-14(17-11)21-2/h3-8,16H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid?
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid is sourced from PubChem (CID 103347714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).