(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate

C15H16N2O3 — CID 102878407

IUPAC(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cncc(C)c2)c1N
InChIInChI=1S/C15H16N2O3/c1-10-6-11(8-17-7-10)9-20-15(18)12-4-3-5-13(19-2)14(12)16/h3-8H,9,16H2,1-2H3
InChIKeyWHRKJLXETKNCHO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds4

About (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate

(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate (PubChem CID 102878407) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
PubChem CID102878407
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cncc(C)c2)c1N
InChIInChI=1S/C15H16N2O3/c1-10-6-11(8-17-7-10)9-20-15(18)12-4-3-5-13(19-2)14(12)16/h3-8H,9,16H2,1-2H3
InChIKeyWHRKJLXETKNCHO-UHFFFAOYSA-N
XLogP2.34
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-3-pyridinyl)methyl 5-amino-2-methoxybenzoate
CID 102878333
(5-methyl-3-pyridinyl)methyl 2-amino-5-methoxybenzoate
CID 102878358
(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
CID 102878370
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate
CID 102878375
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
CID 115547310
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate?
The IUPAC name of (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate (CID 102878407) is (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate.
What is the SMILES notation for (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate?
The canonical SMILES for (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate is COc1cccc(C(=O)OCc2cncc(C)c2)c1N.
What is the InChIKey of (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate?
The InChIKey is WHRKJLXETKNCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-6-11(8-17-7-10)9-20-15(18)12-4-3-5-13(19-2)14(12)16/h3-8H,9,16H2,1-2H3.
What are the key properties of (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate?
(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate is sourced from PubChem (CID 102878407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).