N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide

C15H13N5O3 — CID 110742560

IUPACN-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
SMILESCN1C(=O)NC(c2cccc(NC(=O)c3cnccn3)c2)C1=O
InChIInChI=1S/C15H13N5O3/c1-20-14(22)12(19-15(20)23)9-3-2-4-10(7-9)18-13(21)11-8-16-5-6-17-11/h2-8,12H,1H3,(H,18,21)(H,19,23)
InChIKeyOKQOOMNNQXHMKV-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.95
Rot. Bonds3

About N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide

N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 110742560) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
PubChem CID110742560
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
SMILESCN1C(=O)NC(c2cccc(NC(=O)c3cnccn3)c2)C1=O
InChIInChI=1S/C15H13N5O3/c1-20-14(22)12(19-15(20)23)9-3-2-4-10(7-9)18-13(21)11-8-16-5-6-17-11/h2-8,12H,1H3,(H,18,21)(H,19,23)
InChIKeyOKQOOMNNQXHMKV-UHFFFAOYSA-N
XLogP0.95
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide (CID 110742560) is N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide is CN1C(=O)NC(c2cccc(NC(=O)c3cnccn3)c2)C1=O.
What is the InChIKey of N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is OKQOOMNNQXHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-20-14(22)12(19-15(20)23)9-3-2-4-10(7-9)18-13(21)11-8-16-5-6-17-11/h2-8,12H,1H3,(H,18,21)(H,19,23).
What are the key properties of N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide?
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110742560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).