2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile

C16H15N3O — CID 56701420

IUPAC2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-c2cccc3c2OC(CN)C3)n1
InChIInChI=1S/C16H15N3O/c1-10-5-6-12(8-17)15(19-10)14-4-2-3-11-7-13(9-18)20-16(11)14/h2-6,13H,7,9,18H2,1H3
InChIKeyOCAUMERKFPFQRX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.19
Rot. Bonds2

About 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile

2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 56701420) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile
PubChem CID56701420
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-c2cccc3c2OC(CN)C3)n1
InChIInChI=1S/C16H15N3O/c1-10-5-6-12(8-17)15(19-10)14-4-2-3-11-7-13(9-18)20-16(11)14/h2-6,13H,7,9,18H2,1H3
InChIKeyOCAUMERKFPFQRX-UHFFFAOYSA-N
XLogP2.19
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile (CID 56701420) is 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(-c2cccc3c2OC(CN)C3)n1.
What is the InChIKey of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is OCAUMERKFPFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-5-6-12(8-17)15(19-10)14-4-2-3-11-7-13(9-18)20-16(11)14/h2-6,13H,7,9,18H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile?
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 56701420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).