2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile

C17H20N4S — CID 56863982

IUPAC2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)c(C)s1
InChIInChI=1S/C17H20N4S/c1-10-7-13(11(2)22-10)16-8-14(12-3-5-20-6-4-12)15(9-18)17(19)21-16/h7-8,12,20H,3-6H2,1-2H3,(H2,19,21)
InChIKeyFTGKURXJHFKYFE-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.35
Rot. Bonds2

About 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile

2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 56863982) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID56863982
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)c(C)s1
InChIInChI=1S/C17H20N4S/c1-10-7-13(11(2)22-10)16-8-14(12-3-5-20-6-4-12)15(9-18)17(19)21-16/h7-8,12,20H,3-6H2,1-2H3,(H2,19,21)
InChIKeyFTGKURXJHFKYFE-UHFFFAOYSA-N
XLogP3.35
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128791
2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162324206
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile
CID 56864056
2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128735
2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162307678
2-amino-6-(2-hydroxyphenyl)-4-(1-propylpiperidin-3-yl)pyridine-3-carbonitrile;methane
CID 157316787
2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
CID 95469054
2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride
CID 162321627
4-methyl-3-piperidin-4-ylbenzonitrile
CID 83392495
2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 95552721

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile (CID 56863982) is 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile is Cc1cc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)c(C)s1.
What is the InChIKey of 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is FTGKURXJHFKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-10-7-13(11(2)22-10)16-8-14(12-3-5-20-6-4-12)15(9-18)17(19)21-16/h7-8,12,20H,3-6H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 312.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 56863982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).