6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile

C13H13N3S — CID 55207434

IUPAC6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCc2cccs2)n1
InChIInChI=1S/C13H13N3S/c1-10-4-5-11(9-14)13(16-10)15-7-6-12-3-2-8-17-12/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyKZIABFQVVVBMSK-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.98
Rot. Bonds4

About 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile

6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile (PubChem CID 55207434) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
PubChem CID55207434
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCc2cccs2)n1
InChIInChI=1S/C13H13N3S/c1-10-4-5-11(9-14)13(16-10)15-7-6-12-3-2-8-17-12/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyKZIABFQVVVBMSK-UHFFFAOYSA-N
XLogP2.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 113343673
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
CID 107488727
3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455
2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile
CID 165419826
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile (CID 55207434) is 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCc2cccs2)n1.
What is the InChIKey of 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
The InChIKey is KZIABFQVVVBMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-10-4-5-11(9-14)13(16-10)15-7-6-12-3-2-8-17-12/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile has a molecular weight of 243.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 55207434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).