6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile

C16H13N3S — CID 114911037

IUPAC6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile
SMILESCCNc1nc(-c2cc3ccccc3s2)ccc1C#N
InChIInChI=1S/C16H13N3S/c1-2-18-16-12(10-17)7-8-13(19-16)15-9-11-5-3-4-6-14(11)20-15/h3-9H,2H2,1H3,(H,18,19)
InChIKeyGCDAXDYMAHEXJG-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.27
Rot. Bonds3

About 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile

6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile (PubChem CID 114911037) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile
PubChem CID114911037
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile
SMILESCCNc1nc(-c2cc3ccccc3s2)ccc1C#N
InChIInChI=1S/C16H13N3S/c1-2-18-16-12(10-17)7-8-13(19-16)15-9-11-5-3-4-6-14(11)20-15/h3-9H,2H2,1H3,(H,18,19)
InChIKeyGCDAXDYMAHEXJG-UHFFFAOYSA-N
XLogP4.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile (CID 114911037) is 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile is CCNc1nc(-c2cc3ccccc3s2)ccc1C#N.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile?
The InChIKey is GCDAXDYMAHEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-2-18-16-12(10-17)7-8-13(19-16)15-9-11-5-3-4-6-14(11)20-15/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile?
6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile has a molecular weight of 279.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 114911037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).