3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile

C13H14N4S — CID 82817299

IUPAC3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(Cc1ccsc1)Nc1nccc(C#N)c1N
InChIInChI=1S/C13H14N4S/c1-9(6-10-3-5-18-8-10)17-13-12(15)11(7-14)2-4-16-13/h2-5,8-9H,6,15H2,1H3,(H,16,17)
InChIKeyBVOPVXDWJOUDEA-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile

3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 82817299) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
PubChem CID82817299
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(Cc1ccsc1)Nc1nccc(C#N)c1N
InChIInChI=1S/C13H14N4S/c1-9(6-10-3-5-18-8-10)17-13-12(15)11(7-14)2-4-16-13/h2-5,8-9H,6,15H2,1H3,(H,16,17)
InChIKeyBVOPVXDWJOUDEA-UHFFFAOYSA-N
XLogP2.64
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
2-chloro-4-(1-thiophen-3-ylpropan-2-ylamino)benzonitrile
CID 62946195
2-bromo-4-(1-thiophen-3-ylpropan-2-ylamino)benzonitrile
CID 107276079
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 82817603
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588895

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile (CID 82817299) is 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile is CC(Cc1ccsc1)Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is BVOPVXDWJOUDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9(6-10-3-5-18-8-10)17-13-12(15)11(7-14)2-4-16-13/h2-5,8-9H,6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile?
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).