N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C18H23N5O — CID 109278327

IUPACN-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C18H23N5O/c1-3-14-4-6-15(7-5-14)21-18(24)16-12-20-17(13-19-16)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,24)
InChIKeyBKOLWDRXNLGIGZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.04
Rot. Bonds4

About N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109278327) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109278327
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C18H23N5O/c1-3-14-4-6-15(7-5-14)21-18(24)16-12-20-17(13-19-16)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,24)
InChIKeyBKOLWDRXNLGIGZ-UHFFFAOYSA-N
XLogP2.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325780
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109278327) is N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is BKOLWDRXNLGIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-14-4-6-15(7-5-14)21-18(24)16-12-20-17(13-19-16)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).