6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C16H16N4OS — CID 68840066

IUPAC6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCC(=O)N1CCc2c(sc(NCc3cccnc3)c2C#N)C1
InChIInChI=1S/C16H16N4OS/c1-11(21)20-6-4-13-14(7-17)16(22-15(13)10-20)19-9-12-3-2-5-18-8-12/h2-3,5,8,19H,4,6,9-10H2,1H3
InChIKeyFNFLYEQJKLYKSL-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.53
Rot. Bonds3

About 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 68840066) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID68840066
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCC(=O)N1CCc2c(sc(NCc3cccnc3)c2C#N)C1
InChIInChI=1S/C16H16N4OS/c1-11(21)20-6-4-13-14(7-17)16(22-15(13)10-20)19-9-12-3-2-5-18-8-12/h2-3,5,8,19H,4,6,9-10H2,1H3
InChIKeyFNFLYEQJKLYKSL-UHFFFAOYSA-N
XLogP2.53
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 68840066) is 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is CC(=O)N1CCc2c(sc(NCc3cccnc3)c2C#N)C1.
What is the InChIKey of 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is FNFLYEQJKLYKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11(21)20-6-4-13-14(7-17)16(22-15(13)10-20)19-9-12-3-2-5-18-8-12/h2-3,5,8,19H,4,6,9-10H2,1H3.
What are the key properties of 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 312.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(pyridin-3-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 68840066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).