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

C15H17N5O3 — CID 109278877

IUPAC5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=CN1CCN(c2cnc(C(=O)NCc3ccco3)cn2)CC1
InChIInChI=1S/C15H17N5O3/c21-11-19-3-5-20(6-4-19)14-10-16-13(9-17-14)15(22)18-8-12-2-1-7-23-12/h1-2,7,9-11H,3-6,8H2,(H,18,22)
InChIKeyXDNZYMZLOZIKEF-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.28
Rot. Bonds5

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

5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109278877) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109278877
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=CN1CCN(c2cnc(C(=O)NCc3ccco3)cn2)CC1
InChIInChI=1S/C15H17N5O3/c21-11-19-3-5-20(6-4-19)14-10-16-13(9-17-14)15(22)18-8-12-2-1-7-23-12/h1-2,7,9-11H,3-6,8H2,(H,18,22)
InChIKeyXDNZYMZLOZIKEF-UHFFFAOYSA-N
XLogP0.28
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279162
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
N-(furan-2-ylmethyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 109278877) is 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is O=CN1CCN(c2cnc(C(=O)NCc3ccco3)cn2)CC1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is XDNZYMZLOZIKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-11-19-3-5-20(6-4-19)14-10-16-13(9-17-14)15(22)18-8-12-2-1-7-23-12/h1-2,7,9-11H,3-6,8H2,(H,18,22).
What are the key properties of 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).