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

C18H21N5O3 — CID 109279251

IUPAC5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(N3CCN(C(C)=O)CC3)cn2)c1
InChIInChI=1S/C18H21N5O3/c1-13(24)22-6-8-23(9-7-22)17-12-19-16(11-20-17)18(25)21-14-4-3-5-15(10-14)26-2/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
InChIKeyOTMCEGSFAVFVAW-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.41
Rot. Bonds4

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

5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109279251) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109279251
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(N3CCN(C(C)=O)CC3)cn2)c1
InChIInChI=1S/C18H21N5O3/c1-13(24)22-6-8-23(9-7-22)17-12-19-16(11-20-17)18(25)21-14-4-3-5-15(10-14)26-2/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
InChIKeyOTMCEGSFAVFVAW-UHFFFAOYSA-N
XLogP1.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide (CID 109279251) is 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide is COc1cccc(NC(=O)c2cnc(N3CCN(C(C)=O)CC3)cn2)c1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is OTMCEGSFAVFVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13(24)22-6-8-23(9-7-22)17-12-19-16(11-20-17)18(25)21-14-4-3-5-15(10-14)26-2/h3-5,10-12H,6-9H2,1-2H3,(H,21,25).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).