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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Related Compounds

5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
4-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]benzonitrile
CID 61473442
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 45242419
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611566
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
3-chloro-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzonitrile
CID 102664253

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).