N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine

C17H21N3O2 — CID 84932002

IUPACN-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCOc1ccc(C=NNc2ccccn2)cc1OCC
InChIInChI=1S/C17H21N3O2/c1-3-11-22-15-9-8-14(12-16(15)21-4-2)13-19-20-17-7-5-6-10-18-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyHZJCEABIGHQNHO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.72
Rot. Bonds8

About N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine

N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 84932002) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID84932002
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCOc1ccc(C=NNc2ccccn2)cc1OCC
InChIInChI=1S/C17H21N3O2/c1-3-11-22-15-9-8-14(12-16(15)21-4-2)13-19-20-17-7-5-6-10-18-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyHZJCEABIGHQNHO-UHFFFAOYSA-N
XLogP3.72
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-ethoxy-4-propoxyphenyl)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

Related Compounds

N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
CID 9121639
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
3-[(2E)-2-[(3-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733570
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110505665
N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
CID 110842592
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5217446
4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135904945

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine (CID 84932002) is N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine is CCCOc1ccc(C=NNc2ccccn2)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is HZJCEABIGHQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-11-22-15-9-8-14(12-16(15)21-4-2)13-19-20-17-7-5-6-10-18-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 299.37 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 84932002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).