5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile

C14H16N4S — CID 103467928

IUPAC5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
SMILESCC(C)C(Nc1ncc(C#N)cc1N)c1cccs1
InChIInChI=1S/C14H16N4S/c1-9(2)13(12-4-3-5-19-12)18-14-11(16)6-10(7-15)8-17-14/h3-6,8-9,13H,16H2,1-2H3,(H,17,18)
InChIKeyQWRQOKDTIWEEQO-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.41
Rot. Bonds4

About 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile

5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 103467928) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
PubChem CID103467928
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
SMILESCC(C)C(Nc1ncc(C#N)cc1N)c1cccs1
InChIInChI=1S/C14H16N4S/c1-9(2)13(12-4-3-5-19-12)18-14-11(16)6-10(7-15)8-17-14/h3-6,8-9,13H,16H2,1-2H3,(H,17,18)
InChIKeyQWRQOKDTIWEEQO-UHFFFAOYSA-N
XLogP3.41
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 60667183
5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 61227691
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
6-hydrazinyl-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80901918
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile (CID 103467928) is 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile is CC(C)C(Nc1ncc(C#N)cc1N)c1cccs1.
What is the InChIKey of 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is QWRQOKDTIWEEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9(2)13(12-4-3-5-19-12)18-14-11(16)6-10(7-15)8-17-14/h3-6,8-9,13H,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).