5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide

C17H18ClN5O2 — CID 109279241

IUPAC5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C17H18ClN5O2/c1-12(24)22-6-8-23(9-7-22)16-11-19-15(10-20-16)17(25)21-14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3,(H,21,25)
InChIKeyXTOGSQPRFSGNBL-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.05
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 109279241) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
PubChem CID109279241
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C17H18ClN5O2/c1-12(24)22-6-8-23(9-7-22)16-11-19-15(10-20-16)17(25)21-14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3,(H,21,25)
InChIKeyXTOGSQPRFSGNBL-UHFFFAOYSA-N
XLogP2.05
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
CID 109279284
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
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
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109289373
3-[[5-(4-acetyl-1,4-diazepan-1-yl)pyrazine-2-carbonyl]amino]-4-[(5-chloro-2-pyridinyl)carbamoyl]benzoic acid
CID 58780361
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide (CID 109279241) is 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide is CC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is XTOGSQPRFSGNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-12(24)22-6-8-23(9-7-22)16-11-19-15(10-20-16)17(25)21-14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3,(H,21,25).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.05, 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-(4-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).