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

C14H13N3O3 — CID 6285070

IUPAC[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate
SMILESN/C(=N\OC(=O)COc1ccccc1)c1ccncc1
InChIInChI=1S/C14H13N3O3/c15-14(11-6-8-16-9-7-11)17-20-13(18)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17)
InChIKeyLLPKCRDZQJTYQJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.32
Rot. Bonds5

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

[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate (PubChem CID 6285070) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate.

Molecular Properties

Compound Name[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate
PubChem CID6285070
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate
SMILESN/C(=N\OC(=O)COc1ccccc1)c1ccncc1
InChIInChI=1S/C14H13N3O3/c15-14(11-6-8-16-9-7-11)17-20-13(18)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17)
InChIKeyLLPKCRDZQJTYQJ-UHFFFAOYSA-N
XLogP1.32
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.32
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-4-yl)methylidene]amino] 2-phenoxyacetate?
The IUPAC name of [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate (CID 6285070) is [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate.
What is the SMILES notation for [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate?
The canonical SMILES for [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate is N/C(=N\OC(=O)COc1ccccc1)c1ccncc1.
What is the InChIKey of [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate?
The InChIKey is LLPKCRDZQJTYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-14(11-6-8-16-9-7-11)17-20-13(18)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17).
What are the key properties of [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate?
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate has a molecular weight of 271.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-phenoxyacetate is sourced from PubChem (CID 6285070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).