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

C16H19N5O3 — CID 109279162

IUPAC5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)NCc3ccco3)cn2)CC1
InChIInChI=1S/C16H19N5O3/c1-12(22)20-4-6-21(7-5-20)15-11-17-14(10-18-15)16(23)19-9-13-3-2-8-24-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,23)
InChIKeyAXIGABYVIRTXSX-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.67
Rot. Bonds4

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

5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109279162) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109279162
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)NCc3ccco3)cn2)CC1
InChIInChI=1S/C16H19N5O3/c1-12(22)20-4-6-21(7-5-20)15-11-17-14(10-18-15)16(23)19-9-13-3-2-8-24-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,23)
InChIKeyAXIGABYVIRTXSX-UHFFFAOYSA-N
XLogP0.67
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109278877
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109097000
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109117552
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 3868005
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-(furan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109097112
N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 109187612
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(furan-2-ylmethyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 109279162) is 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is CC(=O)N1CCN(c2cnc(C(=O)NCc3ccco3)cn2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is AXIGABYVIRTXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12(22)20-4-6-21(7-5-20)15-11-17-14(10-18-15)16(23)19-9-13-3-2-8-24-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,23).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.67, 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-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).