6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide

C16H18N6O2 — CID 123957243

IUPAC6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cncc(C(=O)Nc3ccccn3)n2)CC1
InChIInChI=1S/C16H18N6O2/c1-12(23)21-6-8-22(9-7-21)15-11-17-10-13(19-15)16(24)20-14-4-2-3-5-18-14/h2-5,10-11H,6-9H2,1H3,(H,18,20,24)
InChIKeyDOTPLRPGMFDECK-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.79
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide

6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide (PubChem CID 123957243) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
PubChem CID123957243
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cncc(C(=O)Nc3ccccn3)n2)CC1
InChIInChI=1S/C16H18N6O2/c1-12(23)21-6-8-22(9-7-21)15-11-17-10-13(19-15)16(24)20-14-4-2-3-5-18-14/h2-5,10-11H,6-9H2,1H3,(H,18,20,24)
InChIKeyDOTPLRPGMFDECK-UHFFFAOYSA-N
XLogP0.79
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-methoxyacetyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123151120
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160595614
1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80766880
N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
CID 57327084
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
3-amino-6-[4-(morpholine-4-carbonyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 66745239
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80767680
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide (CID 123957243) is 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide is CC(=O)N1CCN(c2cncc(C(=O)Nc3ccccn3)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
The InChIKey is DOTPLRPGMFDECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-12(23)21-6-8-22(9-7-21)15-11-17-10-13(19-15)16(24)20-14-4-2-3-5-18-14/h2-5,10-11H,6-9H2,1H3,(H,18,20,24).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 123957243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).