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

C21H27N5O2 — CID 109279236

IUPAC5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1
InChIInChI=1S/C21H27N5O2/c1-15(27)25-9-11-26(12-10-25)19-14-22-18(13-23-19)20(28)24-17-7-5-16(6-8-17)21(2,3)4/h5-8,13-14H,9-12H2,1-4H3,(H,24,28)
InChIKeyFRCYMLXWOMXCBF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.69
Rot. Bonds3

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

5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide (PubChem CID 109279236) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
PubChem CID109279236
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1
InChIInChI=1S/C21H27N5O2/c1-15(27)25-9-11-26(12-10-25)19-14-22-18(13-23-19)20(28)24-17-7-5-16(6-8-17)21(2,3)4/h5-8,13-14H,9-12H2,1-4H3,(H,24,28)
InChIKeyFRCYMLXWOMXCBF-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.69
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
5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
CID 109279284
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109279251
5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109278987
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
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-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109289373
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide (CID 109279236) is 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide is CC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide?
The InChIKey is FRCYMLXWOMXCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(27)25-9-11-26(12-10-25)19-14-22-18(13-23-19)20(28)24-17-7-5-16(6-8-17)21(2,3)4/h5-8,13-14H,9-12H2,1-4H3,(H,24,28).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.69, 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-tert-butylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).