methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate

C15H16N2O4 — CID 106955195

IUPACmethyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1cccc(OC)n1
InChIInChI=1S/C15H16N2O4/c1-19-14-5-3-4-11(17-14)9-21-13-8-10(16)6-7-12(13)15(18)20-2/h3-8H,9,16H2,1-2H3
InChIKeyXBFZKUFTGLTXGR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.04
Rot. Bonds5

About methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate

methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate (PubChem CID 106955195) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
PubChem CID106955195
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1cccc(OC)n1
InChIInChI=1S/C15H16N2O4/c1-19-14-5-3-4-11(17-14)9-21-13-8-10(16)6-7-12(13)15(18)20-2/h3-8H,9,16H2,1-2H3
InChIKeyXBFZKUFTGLTXGR-UHFFFAOYSA-N
XLogP2.04
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate?
The IUPAC name of methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate (CID 106955195) is methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate?
The canonical SMILES for methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate is COC(=O)c1ccc(N)cc1OCc1cccc(OC)n1.
What is the InChIKey of methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate?
The InChIKey is XBFZKUFTGLTXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-14-5-3-4-11(17-14)9-21-13-8-10(16)6-7-12(13)15(18)20-2/h3-8H,9,16H2,1-2H3.
What are the key properties of methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate?
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate has a molecular weight of 288.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate is sourced from PubChem (CID 106955195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).