5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide

C12H20N4O2 — CID 114126503

IUPAC5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide
SMILESCOCCC(C)(C)CNC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H20N4O2/c1-12(2,4-5-18-3)8-16-11(17)9-6-15-10(13)7-14-9/h6-7H,4-5,8H2,1-3H3,(H2,13,15)(H,16,17)
InChIKeyHGLYABWGIZRBKU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.85
Rot. Bonds6

About 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide

5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide (PubChem CID 114126503) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide
PubChem CID114126503
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide
SMILESCOCCC(C)(C)CNC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H20N4O2/c1-12(2,4-5-18-3)8-16-11(17)9-6-15-10(13)7-14-9/h6-7H,4-5,8H2,1-3H3,(H2,13,15)(H,16,17)
InChIKeyHGLYABWGIZRBKU-UHFFFAOYSA-N
XLogP0.85
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377291
N-(2,2-dimethylpropyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377627
5-amino-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 107374558
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide (CID 114126503) is 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide is COCCC(C)(C)CNC(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide?
The InChIKey is HGLYABWGIZRBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,4-5-18-3)8-16-11(17)9-6-15-10(13)7-14-9/h6-7H,4-5,8H2,1-3H3,(H2,13,15)(H,16,17).
What are the key properties of 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide?
5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).