N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine

C14H15N3O — CID 5340073

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCOc1ccc(/C=N/Nc2ccccn2)cc1
InChIInChI=1S/C14H15N3O/c1-2-18-13-8-6-12(7-9-13)11-16-17-14-5-3-4-10-15-14/h3-11H,2H2,1H3,(H,15,17)/b16-11+
InChIKeyCOMNRDWXQPLTHT-LFIBNONCSA-N
MW241.29 g/mol
LogP2.93
Rot. Bonds5

About N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine

N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 5340073) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID5340073
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCOc1ccc(/C=N/Nc2ccccn2)cc1
InChIInChI=1S/C14H15N3O/c1-2-18-13-8-6-12(7-9-13)11-16-17-14-5-3-4-10-15-14/h3-11H,2H2,1H3,(H,15,17)/b16-11+
InChIKeyCOMNRDWXQPLTHT-LFIBNONCSA-N
XLogP2.93
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine 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 N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine (CID 5340073) is N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine is CCOc1ccc(/C=N/Nc2ccccn2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is COMNRDWXQPLTHT-LFIBNONCSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-18-13-8-6-12(7-9-13)11-16-17-14-5-3-4-10-15-14/h3-11H,2H2,1H3,(H,15,17)/b16-11+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 5340073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).