4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine

C17H19N3O2 — CID 166634302

IUPAC4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
SMILESCOCCCNc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C17H19N3O2/c1-21-7-2-6-19-17-11-14(10-16(18)20-17)12-3-4-15-13(9-12)5-8-22-15/h3-5,8-11H,2,6-7H2,1H3,(H3,18,19,20)
InChIKeyWJPAALSMUAZBSF-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.53
Rot. Bonds6

About 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine

4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine (PubChem CID 166634302) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
PubChem CID166634302
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
SMILESCOCCCNc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C17H19N3O2/c1-21-7-2-6-19-17-11-14(10-16(18)20-17)12-3-4-15-13(9-12)5-8-22-15/h3-5,8-11H,2,6-7H2,1H3,(H3,18,19,20)
InChIKeyWJPAALSMUAZBSF-UHFFFAOYSA-N
XLogP3.53
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine 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

4-(2,3-Dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920140
4-(1-Benzofuran-5-yl)pyridine-2,6-diamine
CID 155920134
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 155920138
4-(2-Methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920139
6-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amino)-nicotinonitrile
CID 11501382
2-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amino)-nicotinonitrile
CID 11610190
3-(6-{2-[6-(Methylamino)-2-pyridyl]ethoxy}benzo[b]furan-3-yl)propanoic acid
CID 9924032
5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 155194358
1-[4-(1-Benzofuran-5-yl)pyridin-2-yl]piperazine
CID 155920137
5-[3-(2-Aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine
CID 44532129
(1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890952

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The IUPAC name of 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine (CID 166634302) is 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine is COCCCNc1cc(-c2ccc3occc3c2)cc(N)n1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The InChIKey is WJPAALSMUAZBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-7-2-6-19-17-11-14(10-16(18)20-17)12-3-4-15-13(9-12)5-8-22-15/h3-5,8-11H,2,6-7H2,1H3,(H3,18,19,20).
What are the key properties of 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine has a molecular weight of 297.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine is sourced from PubChem (CID 166634302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).