2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile

C14H16N4S — CID 94281991

IUPAC2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCN(C)CCNc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C14H16N4S/c1-18(2)8-7-16-14-11(10-15)5-6-12(17-14)13-4-3-9-19-13/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyBHQZNZVLUZBKCO-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile

2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 94281991) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID94281991
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCN(C)CCNc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C14H16N4S/c1-18(2)8-7-16-14-11(10-15)5-6-12(17-14)13-4-3-9-19-13/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyBHQZNZVLUZBKCO-UHFFFAOYSA-N
XLogP2.66
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 62197120
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
2-(cyclopentylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 82123654
6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile
CID 107355274
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 4665727
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756
ethyl (2R)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate
CID 690947
2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
CID 55045564
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
CID 116973440
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile (CID 94281991) is 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile is CN(C)CCNc1nc(-c2cccs2)ccc1C#N.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is BHQZNZVLUZBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-18(2)8-7-16-14-11(10-15)5-6-12(17-14)13-4-3-9-19-13/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile?
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 94281991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).