2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide

C16H19FN4O2 — CID 20641801

IUPAC2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1c(C)cnc(N)c1=O)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O2/c1-3-13(11-5-4-6-12(17)7-11)20-14(22)9-21-10(2)8-19-15(18)16(21)23/h4-8,13H,3,9H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyNVHXBCAWLOFASU-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.54
Rot. Bonds5

About 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide

2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide (PubChem CID 20641801) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide
PubChem CID20641801
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1c(C)cnc(N)c1=O)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O2/c1-3-13(11-5-4-6-12(17)7-11)20-14(22)9-21-10(2)8-19-15(18)16(21)23/h4-8,13H,3,9H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyNVHXBCAWLOFASU-UHFFFAOYSA-N
XLogP1.54
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide (CID 20641801) is 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide is CCC(NC(=O)Cn1c(C)cnc(N)c1=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide?
The InChIKey is NVHXBCAWLOFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-3-13(11-5-4-6-12(17)7-11)20-14(22)9-21-10(2)8-19-15(18)16(21)23/h4-8,13H,3,9H2,1-2H3,(H2,18,19)(H,20,22).
What are the key properties of 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide?
2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide has a molecular weight of 318.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 20641801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).