[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate

C15H15N3O3 — CID 2462291

IUPAC[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)ON=C(N)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-11-5-7-12(8-6-11)20-10-14(19)21-18-15(16)13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,16,18)
InChIKeyRJUDFLSSNHBANM-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.63
Rot. Bonds5

About [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate

[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate (PubChem CID 2462291) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
PubChem CID2462291
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)ON=C(N)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-11-5-7-12(8-6-11)20-10-14(19)21-18-15(16)13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,16,18)
InChIKeyRJUDFLSSNHBANM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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'}

Analyze [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944587
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6243258
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)sulfanylpropanoate
CID 2976528
[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-propoxybenzoate
CID 8778912
[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
CID 5398505
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2,5-dimethylbenzoate
CID 17380525
[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6034101
[[amino(pyridin-2-yl)methylidene]amino] 4-phenylbutanoate
CID 2234799
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
[[amino(phenyl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2957050

Frequently Asked Questions

What is the IUPAC name of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate?
The IUPAC name of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate (CID 2462291) is [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate?
The canonical SMILES for [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)ON=C(N)c2ccccn2)cc1.
What is the InChIKey of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate?
The InChIKey is RJUDFLSSNHBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-5-7-12(8-6-11)20-10-14(19)21-18-15(16)13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,16,18).
What are the key properties of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate?
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate has a molecular weight of 285.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 2462291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).