6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C16H16FN3S — CID 167298081

IUPAC6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CCN(Cc1ccccc1F)C2
InChIInChI=1S/C16H16FN3S/c1-19-16-13(8-18)12-6-7-20(10-15(12)21-16)9-11-4-2-3-5-14(11)17/h2-5,19H,6-7,9-10H2,1H3
InChIKeyKLROQMWSKQQONY-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.36
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 167298081) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID167298081
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CCN(Cc1ccccc1F)C2
InChIInChI=1S/C16H16FN3S/c1-19-16-13(8-18)12-6-7-20(10-15(12)21-16)9-11-4-2-3-5-14(11)17/h2-5,19H,6-7,9-10H2,1H3
InChIKeyKLROQMWSKQQONY-UHFFFAOYSA-N
XLogP3.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 167298081) is 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is CNc1sc2c(c1C#N)CCN(Cc1ccccc1F)C2.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is KLROQMWSKQQONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-19-16-13(8-18)12-6-7-20(10-15(12)21-16)9-11-4-2-3-5-14(11)17/h2-5,19H,6-7,9-10H2,1H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 167298081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).