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

C15H17N3O2 — CID 59304247

IUPACN-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ncc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H17N3O2/c1-15(2,3)18-14(20)12-13(19)17-11(9-16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeyWYZVPRDCSBNHDS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.97
Rot. Bonds2

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

N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide (PubChem CID 59304247) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
PubChem CID59304247
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ncc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H17N3O2/c1-15(2,3)18-14(20)12-13(19)17-11(9-16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeyWYZVPRDCSBNHDS-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
CID 167914682
bis[(1S)-1-amino-1-(5-phenyl-1H-imidazol-2-yl)ethyl] oxalate
CID 134207850
methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
CID 141231545
1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
CID 110749218
4-N,5-N-ditert-butyl-1H-imidazole-4,5-dicarboxamide
CID 101216749
N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 154985382
N-tert-butylphenanthridine-6-carboxamide
CID 102585131
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid
CID 67214672
N-tert-butyl-6-phenylpyridazine-3-carboxamide
CID 113200586
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-tert-butylisoquinoline-1-carboxamide
CID 62046176

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide (CID 59304247) is N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide is CC(C)(C)NC(=O)c1ncc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
The InChIKey is WYZVPRDCSBNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)18-14(20)12-13(19)17-11(9-16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 59304247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).