4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine

C14H13N3O — CID 166629363

IUPAC4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine
SMILESCNc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C14H13N3O/c1-16-14-8-11(7-13(15)17-14)9-2-3-12-10(6-9)4-5-18-12/h2-8H,1H3,(H3,15,16,17)
InChIKeyYWFFXOUTPWQMTK-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.12
Rot. Bonds2

About 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine

4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine (PubChem CID 166629363) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine
PubChem CID166629363
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine
SMILESCNc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C14H13N3O/c1-16-14-8-11(7-13(15)17-14)9-2-3-12-10(6-9)4-5-18-12/h2-8H,1H3,(H3,15,16,17)
InChIKeyYWFFXOUTPWQMTK-UHFFFAOYSA-N
XLogP3.12
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
3-(6-{2-[6-(Methylamino)-2-pyridyl]ethoxy}benzo[b]furan-3-yl)propanoic acid
CID 9924032
4-(Benzofuran-5-yl)pyridine
CID 69909895
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
2-[2-Fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide
CID 70688384
4-(1-Benzofuran-5-yl)-6-methylpyridin-2-amine
CID 166627502

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine (CID 166629363) is 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine is CNc1cc(-c2ccc3occc3c2)cc(N)n1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is YWFFXOUTPWQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-14-8-11(7-13(15)17-14)9-2-3-12-10(6-9)4-5-18-12/h2-8H,1H3,(H3,15,16,17).
What are the key properties of 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine?
4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 239.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 166629363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).