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

C14H13N3O — CID 155920139

IUPAC4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESCc1cc2cc(-c3cc(N)nc(N)c3)ccc2o1
InChIInChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)
InChIKeyBMBIGEJCNXQYPN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.97
Rot. Bonds1

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

4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine (PubChem CID 155920139) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
PubChem CID155920139
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESCc1cc2cc(-c3cc(N)nc(N)c3)ccc2o1
InChIInChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)
InChIKeyBMBIGEJCNXQYPN-UHFFFAOYSA-N
XLogP2.97
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine (CID 155920139) is 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine is Cc1cc2cc(-c3cc(N)nc(N)c3)ccc2o1.
What is the InChIKey of 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The InChIKey is BMBIGEJCNXQYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17).
What are the key properties of 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine has a molecular weight of 239.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 155920139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).