N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide

C17H20N6O2 — CID 57327084

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cncc(N)n2)CC1
InChIInChI=1S/C17H20N6O2/c1-12(24)22-6-8-23(9-7-22)15-5-3-2-4-13(15)21-17(25)14-10-19-11-16(18)20-14/h2-5,10-11H,6-9H2,1H3,(H2,18,20)(H,21,25)
InChIKeyQAWMLDAQNWYNCA-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.98
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide (PubChem CID 57327084) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
PubChem CID57327084
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cncc(N)n2)CC1
InChIInChI=1S/C17H20N6O2/c1-12(24)22-6-8-23(9-7-22)15-5-3-2-4-13(15)21-17(25)14-10-19-11-16(18)20-14/h2-5,10-11H,6-9H2,1H3,(H2,18,20)(H,21,25)
InChIKeyQAWMLDAQNWYNCA-UHFFFAOYSA-N
XLogP0.98
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 114036146
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123957243
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 7346441
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 1258046
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide (CID 57327084) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cncc(N)n2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide?
The InChIKey is QAWMLDAQNWYNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12(24)22-6-8-23(9-7-22)15-5-3-2-4-13(15)21-17(25)14-10-19-11-16(18)20-14/h2-5,10-11H,6-9H2,1H3,(H2,18,20)(H,21,25).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide is sourced from PubChem (CID 57327084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).