3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile

C14H21N5 — CID 82817239

IUPAC3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESCCC(C)N1CCN(c2nccc(C#N)c2N)CC1
InChIInChI=1S/C14H21N5/c1-3-11(2)18-6-8-19(9-7-18)14-13(16)12(10-15)4-5-17-14/h4-5,11H,3,6-9,16H2,1-2H3
InChIKeyFATHSVBMPKTJJM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile

3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile (PubChem CID 82817239) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
PubChem CID82817239
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESCCC(C)N1CCN(c2nccc(C#N)c2N)CC1
InChIInChI=1S/C14H21N5/c1-3-11(2)18-6-8-19(9-7-18)14-13(16)12(10-15)4-5-17-14/h4-5,11H,3,6-9,16H2,1-2H3
InChIKeyFATHSVBMPKTJJM-UHFFFAOYSA-N
XLogP1.46
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile (CID 82817239) is 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile is CCC(C)N1CCN(c2nccc(C#N)c2N)CC1.
What is the InChIKey of 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile?
The InChIKey is FATHSVBMPKTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-11(2)18-6-8-19(9-7-18)14-13(16)12(10-15)4-5-17-14/h4-5,11H,3,6-9,16H2,1-2H3.
What are the key properties of 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile?
3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 82817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).