6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile

C13H13N3S — CID 47357833

IUPAC6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(Cc1ccsc1)Nc1ccc(C#N)cn1
InChIInChI=1S/C13H13N3S/c1-10(6-11-4-5-17-9-11)16-13-3-2-12(7-14)8-15-13/h2-5,8-10H,6H2,1H3,(H,15,16)
InChIKeyNXVBCYDJCFHMRX-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.06
Rot. Bonds4

About 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile

6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 47357833) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
PubChem CID47357833
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(Cc1ccsc1)Nc1ccc(C#N)cn1
InChIInChI=1S/C13H13N3S/c1-10(6-11-4-5-17-9-11)16-13-3-2-12(7-14)8-15-13/h2-5,8-10H,6H2,1H3,(H,15,16)
InChIKeyNXVBCYDJCFHMRX-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile (CID 47357833) is 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile is CC(Cc1ccsc1)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is NXVBCYDJCFHMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-10(6-11-4-5-17-9-11)16-13-3-2-12(7-14)8-15-13/h2-5,8-10H,6H2,1H3,(H,15,16).
What are the key properties of 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile?
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 243.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 47357833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).