[(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate

C15H13N3O2 — CID 5348774

IUPAC[(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate
SMILESN/C(=N\OC(=O)/C=C/c1ccccc1)c1ccccn1
InChIInChI=1S/C15H13N3O2/c16-15(13-8-4-5-11-17-13)18-20-14(19)10-9-12-6-2-1-3-7-12/h1-11H,(H2,16,18)/b10-9+
InChIKeyCUGCFQCYIQPLOL-MDZDMXLPSA-N
MW267.29 g/mol
LogP1.96
Rot. Bonds4

About [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate

[(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate (PubChem CID 5348774) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate
PubChem CID5348774
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name[(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate
SMILESN/C(=N\OC(=O)/C=C/c1ccccc1)c1ccccn1
InChIInChI=1S/C15H13N3O2/c16-15(13-8-4-5-11-17-13)18-20-14(19)10-9-12-6-2-1-3-7-12/h1-11H,(H2,16,18)/b10-9+
InChIKeyCUGCFQCYIQPLOL-MDZDMXLPSA-N
XLogP1.96
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate (CID 5348774) is [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate is N/C(=N\OC(=O)/C=C/c1ccccc1)c1ccccn1.
What is the InChIKey of [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate?
The InChIKey is CUGCFQCYIQPLOL-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15(13-8-4-5-11-17-13)18-20-14(19)10-9-12-6-2-1-3-7-12/h1-11H,(H2,16,18)/b10-9+.
What are the key properties of [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate?
[(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate has a molecular weight of 267.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(pyridin-2-yl)methylidene]amino] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5348774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).