5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide

C17H17Cl2N5O2 — CID 109279284

IUPAC5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)Nc3cc(Cl)cc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-2-4-24(5-3-23)16-10-20-15(9-21-16)17(26)22-14-7-12(18)6-13(19)8-14/h6-10H,2-5H2,1H3,(H,22,26)
InChIKeyHOZPAACAASQWOC-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.70
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide (PubChem CID 109279284) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
PubChem CID109279284
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)Nc3cc(Cl)cc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-2-4-24(5-3-23)16-10-20-15(9-21-16)17(26)22-14-7-12(18)6-13(19)8-14/h6-10H,2-5H2,1H3,(H,22,26)
InChIKeyHOZPAACAASQWOC-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109279251
5-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109279295
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279150
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide (CID 109279284) is 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide is CC(=O)N1CCN(c2cnc(C(=O)Nc3cc(Cl)cc(Cl)c3)cn2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide?
The InChIKey is HOZPAACAASQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-11(25)23-2-4-24(5-3-23)16-10-20-15(9-21-16)17(26)22-14-7-12(18)6-13(19)8-14/h6-10H,2-5H2,1H3,(H,22,26).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).