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

C11H9N3S — CID 60965511

IUPAC2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccsc1
InChIInChI=1S/C11H9N3S/c12-6-10-2-1-4-13-11(10)14-7-9-3-5-15-8-9/h1-5,8H,7H2,(H,13,14)
InChIKeyDFCHJZLZIHDFGB-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.63
Rot. Bonds3

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

2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 60965511) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
PubChem CID60965511
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccsc1
InChIInChI=1S/C11H9N3S/c12-6-10-2-1-4-13-11(10)14-7-9-3-5-15-8-9/h1-5,8H,7H2,(H,13,14)
InChIKeyDFCHJZLZIHDFGB-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

2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 51091666
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
CID 62523720
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 55174098
2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
CID 154733870
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 133356712
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 63247950

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile (CID 60965511) is 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile is N#Cc1cccnc1NCc1ccsc1.
What is the InChIKey of 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is DFCHJZLZIHDFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-6-10-2-1-4-13-11(10)14-7-9-3-5-15-8-9/h1-5,8H,7H2,(H,13,14).
What are the key properties of 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile?
2-(thiophen-3-ylmethylamino)pyridine-3-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 2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 60965511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).