N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide

C15H17N3O2 — CID 51361225

IUPACN-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1[nH]c(=O)cnc1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-3-9-16-15(20)14-13(17-10-12(19)18-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,20)(H,18,19)
InChIKeySIXSPJFPGMCAGW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.97
Rot. Bonds5

About N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide

N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide (PubChem CID 51361225) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide
PubChem CID51361225
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1[nH]c(=O)cnc1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-3-9-16-15(20)14-13(17-10-12(19)18-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,20)(H,18,19)
InChIKeySIXSPJFPGMCAGW-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-phenyl-1H-pyrazin-2-one
CID 599037
N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
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N-benzyl-2-(methylamino)acetamide
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3-(Benzylamino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 454349
2(1H)-Pyridinone, 5-ethyl-3-(((2-fluorophenyl)methyl)amino)-6-methyl-
CID 454353
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-methylphenyl)methyl)amino)-
CID 454356
2(1H)-Pyridinone, 5-ethyl-3-(((2-ethylphenyl)methyl)amino)-6-methyl-
CID 454358
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N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide?
The IUPAC name of N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide (CID 51361225) is N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide is CCCCNC(=O)c1[nH]c(=O)cnc1-c1ccccc1.
What is the InChIKey of N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide?
The InChIKey is SIXSPJFPGMCAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-9-16-15(20)14-13(17-10-12(19)18-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide?
N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 51361225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).