5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile

C11H9N3S — CID 79840154

IUPAC5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccsc2)cn1
InChIInChI=1S/C11H9N3S/c12-5-10-1-2-11(7-14-10)13-6-9-3-4-15-8-9/h1-4,7-8,13H,6H2
InChIKeyQRHYAHHOQPFOPS-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.63
Rot. Bonds3

About 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile

5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 79840154) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
PubChem CID79840154
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccsc2)cn1
InChIInChI=1S/C11H9N3S/c12-5-10-1-2-11(7-14-10)13-6-9-3-4-15-8-9/h1-4,7-8,13H,6H2
InChIKeyQRHYAHHOQPFOPS-UHFFFAOYSA-N
XLogP2.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
CID 115490190
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
CID 60965511
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile (CID 79840154) is 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile is N#Cc1ccc(NCc2ccsc2)cn1.
What is the InChIKey of 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is QRHYAHHOQPFOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-5-10-1-2-11(7-14-10)13-6-9-3-4-15-8-9/h1-4,7-8,13H,6H2.
What are the key properties of 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile?
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 215.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 79840154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).