ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate

C15H16N2O3 — CID 121271500

IUPACethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(N)c(-c2ccc(OC)nc2)c1
InChIInChI=1S/C15H16N2O3/c1-3-20-15(18)10-4-6-13(16)12(8-10)11-5-7-14(19-2)17-9-11/h4-9H,3,16H2,1-2H3
InChIKeyPGLRFZURXOXYLY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.52
Rot. Bonds4

About ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate

ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate (PubChem CID 121271500) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate
PubChem CID121271500
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(N)c(-c2ccc(OC)nc2)c1
InChIInChI=1S/C15H16N2O3/c1-3-20-15(18)10-4-6-13(16)12(8-10)11-5-7-14(19-2)17-9-11/h4-9H,3,16H2,1-2H3
InChIKeyPGLRFZURXOXYLY-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate?
The IUPAC name of ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate (CID 121271500) is ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate.
What is the SMILES notation for ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate?
The canonical SMILES for ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate is CCOC(=O)c1ccc(N)c(-c2ccc(OC)nc2)c1.
What is the InChIKey of ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate?
The InChIKey is PGLRFZURXOXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-15(18)10-4-6-13(16)12(8-10)11-5-7-14(19-2)17-9-11/h4-9H,3,16H2,1-2H3.
What are the key properties of ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate?
ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate has a molecular weight of 272.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate is sourced from PubChem (CID 121271500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).