2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile

C15H16N7O+ — CID 2410752

IUPAC2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile
SMILESCC(=O)N1CCN(c2[nH+]c(N)c(C#N)c(CC#N)c2C#N)CC1
InChIInChI=1S/C15H15N7O/c1-10(23)21-4-6-22(7-5-21)15-13(9-18)11(2-3-16)12(8-17)14(19)20-15/h2,4-7H2,1H3,(H2,19,20)/p+1
InChIKeyDQMGDLZJJITKOR-UHFFFAOYSA-O
MW310.34 g/mol
LogP-0.44
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile

2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile (PubChem CID 2410752) has the molecular formula C15H16N7O+ and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile
PubChem CID2410752
Molecular FormulaC15H16N7O+
Molecular Weight310.34 g/mol
Exact Mass310.14
IUPAC Name2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile
SMILESCC(=O)N1CCN(c2[nH+]c(N)c(C#N)c(CC#N)c2C#N)CC1
InChIInChI=1S/C15H15N7O/c1-10(23)21-4-6-22(7-5-21)15-13(9-18)11(2-3-16)12(8-17)14(19)20-15/h2,4-7H2,1H3,(H2,19,20)/p+1
InChIKeyDQMGDLZJJITKOR-UHFFFAOYSA-O
XLogP-0.44
TPSA135.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-4-(cyanomethyl)-6-(4-formylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile
CID 2397121
2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile
CID 2103923
3-(4-acetylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
CID 6955254
6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile
CID 70924776
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391
8-(4-acetylpiperazin-1-yl)-5,6-diamino-3-methyl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 4542822
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
2-(4-acetyl-1,4-diazepan-1-yl)-6-chlorobenzonitrile
CID 55023991
6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile
CID 103468030
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-2-cyanoacetamide
CID 168521277

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile (CID 2410752) is 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile is CC(=O)N1CCN(c2[nH+]c(N)c(C#N)c(CC#N)c2C#N)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is DQMGDLZJJITKOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N7O/c1-10(23)21-4-6-22(7-5-21)15-13(9-18)11(2-3-16)12(8-17)14(19)20-15/h2,4-7H2,1H3,(H2,19,20)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile?
2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 310.34 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 2410752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).