2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile

C14H15N3S — CID 55045564

IUPAC2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCCNc1nc(-c2ccc(CC)s2)ccc1C#N
InChIInChI=1S/C14H15N3S/c1-3-11-6-8-13(18-11)12-7-5-10(9-15)14(17-12)16-4-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyBSYJVXVJXMKMMP-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.68
Rot. Bonds4

About 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile

2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 55045564) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
PubChem CID55045564
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCCNc1nc(-c2ccc(CC)s2)ccc1C#N
InChIInChI=1S/C14H15N3S/c1-3-11-6-8-13(18-11)12-7-5-10(9-15)14(17-12)16-4-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyBSYJVXVJXMKMMP-UHFFFAOYSA-N
XLogP3.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile (CID 55045564) is 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile is CCNc1nc(-c2ccc(CC)s2)ccc1C#N.
What is the InChIKey of 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is BSYJVXVJXMKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-3-11-6-8-13(18-11)12-7-5-10(9-15)14(17-12)16-4-2/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile?
2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 55045564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).