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

C15H15N3O2 — CID 2944587

IUPAC[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)ON=C(N)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O2/c1-11-5-7-12(8-6-11)10-14(19)20-18-15(16)13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,16,18)
InChIKeySPJMATGFZJJCEH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.80
Rot. Bonds4

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

[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate (PubChem CID 2944587) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
PubChem CID2944587
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)ON=C(N)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O2/c1-11-5-7-12(8-6-11)10-14(19)20-18-15(16)13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,16,18)
InChIKeySPJMATGFZJJCEH-UHFFFAOYSA-N
XLogP1.80
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.80
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 2462291
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 6297695
[[amino(pyridin-2-yl)methylidene]amino] 4-phenylbutanoate
CID 2234799
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)sulfanylpropanoate
CID 2976528
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944500
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2,5-dimethylbenzoate
CID 17380525
[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
CID 5349701
N'-trimethylsilyloxypyridine-2-carboximidamide
CID 91699371
N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
CID 4749358
[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-propoxybenzoate
CID 8778912
ethyl pyridine-2-carboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate?
The IUPAC name of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate (CID 2944587) is [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate.
What is the SMILES notation for [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate?
The canonical SMILES for [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)ON=C(N)c2ccccn2)cc1.
What is the InChIKey of [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate?
The InChIKey is SPJMATGFZJJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-5-7-12(8-6-11)10-14(19)20-18-15(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-methylphenyl)acetate?
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate has a molecular weight of 269.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate is sourced from PubChem (CID 2944587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).