3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile

C13H18N4 — CID 103467207

IUPAC3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CC(C)CN(c2ccc(N)c(C#N)n2)C1
InChIInChI=1S/C13H18N4/c1-9-5-10(2)8-17(7-9)13-4-3-11(15)12(6-14)16-13/h3-4,9-10H,5,7-8,15H2,1-2H3
InChIKeyJQXHZPKPLITTPU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.02
Rot. Bonds1

About 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile

3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 103467207) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID103467207
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CC(C)CN(c2ccc(N)c(C#N)n2)C1
InChIInChI=1S/C13H18N4/c1-9-5-10(2)8-17(7-9)13-4-3-11(15)12(6-14)16-13/h3-4,9-10H,5,7-8,15H2,1-2H3
InChIKeyJQXHZPKPLITTPU-UHFFFAOYSA-N
XLogP2.02
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 103468676
3-amino-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile
CID 103468438
3-amino-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 103468387
3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 103468973
6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile
CID 103468030
2-[1-(5-amino-6-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103467985
3-amino-6-(1,1-dioxo-1,4-thiazepan-4-yl)pyridine-2-carbonitrile
CID 114083342
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
CID 170582340
6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-amine
CID 78989037
[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 80928296

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile (CID 103467207) is 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile is CC1CC(C)CN(c2ccc(N)c(C#N)n2)C1.
What is the InChIKey of 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is JQXHZPKPLITTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-5-10(2)8-17(7-9)13-4-3-11(15)12(6-14)16-13/h3-4,9-10H,5,7-8,15H2,1-2H3.
What are the key properties of 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 103467207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).