(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine

C9H13N3O — CID 58981447

IUPAC(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine
SMILESC/C=N\N=c1/cc(OC)ccn1C
InChIInChI=1S/C9H13N3O/c1-4-10-11-9-7-8(13-3)5-6-12(9)2/h4-7H,1-3H3/b10-4-,11-9+
InChIKeyWHVUMOIOQNQFEG-QYPUIOKRSA-N
MW179.22 g/mol
LogP0.94
Rot. Bonds2

About (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine

(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine (PubChem CID 58981447) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine
PubChem CID58981447
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine
SMILESC/C=N\N=c1/cc(OC)ccn1C
InChIInChI=1S/C9H13N3O/c1-4-10-11-9-7-8(13-3)5-6-12(9)2/h4-7H,1-3H3/b10-4-,11-9+
InChIKeyWHVUMOIOQNQFEG-QYPUIOKRSA-N
XLogP0.94
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine?
The IUPAC name of (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine (CID 58981447) is (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine?
The canonical SMILES for (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine is C/C=N\N=c1/cc(OC)ccn1C.
What is the InChIKey of (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine?
The InChIKey is WHVUMOIOQNQFEG-QYPUIOKRSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-10-11-9-7-8(13-3)5-6-12(9)2/h4-7H,1-3H3/b10-4-,11-9+.
What are the key properties of (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine?
(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine has a molecular weight of 179.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine is sourced from PubChem (CID 58981447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).