[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate

C15H15N3O4 — CID 6305399

IUPAC[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)O/N=C(\N)c1ccncc1
InChIInChI=1S/C15H15N3O4/c1-20-11-4-3-5-12(21-2)13(11)15(19)22-18-14(16)10-6-8-17-9-7-10/h3-9H,1-2H3,(H2,16,18)
InChIKeyOZEFPPKPFJGKSL-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.58
Rot. Bonds5

About [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate

[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate (PubChem CID 6305399) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate
PubChem CID6305399
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)O/N=C(\N)c1ccncc1
InChIInChI=1S/C15H15N3O4/c1-20-11-4-3-5-12(21-2)13(11)15(19)22-18-14(16)10-6-8-17-9-7-10/h3-9H,1-2H3,(H2,16,18)
InChIKeyOZEFPPKPFJGKSL-UHFFFAOYSA-N
XLogP1.58
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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] 2,6-dimethoxybenzoate?
The IUPAC name of [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate (CID 6305399) is [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate.
What is the SMILES notation for [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate?
The canonical SMILES for [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)O/N=C(\N)c1ccncc1.
What is the InChIKey of [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate?
The InChIKey is OZEFPPKPFJGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-20-11-4-3-5-12(21-2)13(11)15(19)22-18-14(16)10-6-8-17-9-7-10/h3-9H,1-2H3,(H2,16,18).
What are the key properties of [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate?
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate has a molecular weight of 301.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate is sourced from PubChem (CID 6305399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).