pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate

C15H16N2O3 — CID 81413651

IUPACpyridin-3-ylmethyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCc1cccnc1
InChIInChI=1S/C15H16N2O3/c1-2-19-13-7-3-6-12(16)14(13)15(18)20-10-11-5-4-8-17-9-11/h3-9H,2,10,16H2,1H3
InChIKeyATCCRUYQGYHCAG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.42
Rot. Bonds5

About pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate

pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate (PubChem CID 81413651) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 2-amino-6-ethoxybenzoate
PubChem CID81413651
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namepyridin-3-ylmethyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCc1cccnc1
InChIInChI=1S/C15H16N2O3/c1-2-19-13-7-3-6-12(16)14(13)15(18)20-10-11-5-4-8-17-9-11/h3-9H,2,10,16H2,1H3
InChIKeyATCCRUYQGYHCAG-UHFFFAOYSA-N
XLogP2.42
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
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 ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-thiazol-5-ylmethyl 2-amino-6-ethoxybenzoate
CID 112643764
(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate
CID 81394527
(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
CID 107052196
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
3-[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 57361426
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate?
The IUPAC name of pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate (CID 81413651) is pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate.
What is the SMILES notation for pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate?
The canonical SMILES for pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate?
The InChIKey is ATCCRUYQGYHCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-19-13-7-3-6-12(16)14(13)15(18)20-10-11-5-4-8-17-9-11/h3-9H,2,10,16H2,1H3.
What are the key properties of pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate?
pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).