N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C18H21N5O2 — CID 109278366

IUPACN-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C18H21N5O2/c1-13(24)14-4-3-5-15(10-14)21-18(25)16-11-20-17(12-19-16)23-8-6-22(2)7-9-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
InChIKeyDXWUVSFENVAILX-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.68
Rot. Bonds4

About N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109278366) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109278366
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C18H21N5O2/c1-13(24)14-4-3-5-15(10-14)21-18(25)16-11-20-17(12-19-16)23-8-6-22(2)7-9-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
InChIKeyDXWUVSFENVAILX-UHFFFAOYSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574044
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109279251
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
N-(3-acetylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294041
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109278366) is N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is DXWUVSFENVAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(24)14-4-3-5-15(10-14)21-18(25)16-11-20-17(12-19-16)23-8-6-22(2)7-9-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).