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

C15H15N3O — CID 155920140

IUPAC4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESCc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C
InChIInChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
InChIKeyPZRAWCBVDRNTDQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.28
Rot. Bonds1

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

4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine (PubChem CID 155920140) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
PubChem CID155920140
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESCc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C
InChIInChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
InChIKeyPZRAWCBVDRNTDQ-UHFFFAOYSA-N
XLogP3.28
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dimethyl-1-benzofuran-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine (CID 155920140) is 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine is Cc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The InChIKey is PZRAWCBVDRNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18).
What are the key properties of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine has a molecular weight of 253.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 155920140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).