[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate

C15H15N3O3 — CID 5349753

IUPAC[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-20-12-8-6-11(7-9-12)15(19)21-18-14(16)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H2,16,18)
InChIKeyFNGKZIICVXQXKF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.96
Rot. Bonds5

About [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate

[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate (PubChem CID 5349753) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate.

Molecular Properties

Compound Name[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate
PubChem CID5349753
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-20-12-8-6-11(7-9-12)15(19)21-18-14(16)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H2,16,18)
InChIKeyFNGKZIICVXQXKF-UHFFFAOYSA-N
XLogP1.96
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate?
The IUPAC name of [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate (CID 5349753) is [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate.
What is the SMILES notation for [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate?
The canonical SMILES for [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate is CCOc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1.
What is the InChIKey of [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate?
The InChIKey is FNGKZIICVXQXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-20-12-8-6-11(7-9-12)15(19)21-18-14(16)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H2,16,18).
What are the key properties of [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate?
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-ethoxybenzoate is sourced from PubChem (CID 5349753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).