2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide

C11H18N4O2 — CID 55133100

IUPAC2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nccn(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-4-5-13-10(16)8(2)14-9-11(17)15(3)7-6-12-9/h6-8H,4-5H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyHAKGENMVFMTPQM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.11
Rot. Bonds5

About 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide

2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide (PubChem CID 55133100) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide
PubChem CID55133100
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nccn(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-4-5-13-10(16)8(2)14-9-11(17)15(3)7-6-12-9/h6-8H,4-5H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyHAKGENMVFMTPQM-UHFFFAOYSA-N
XLogP0.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide (CID 55133100) is 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nccn(C)c1=O.
What is the InChIKey of 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide?
The InChIKey is HAKGENMVFMTPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-5-13-10(16)8(2)14-9-11(17)15(3)7-6-12-9/h6-8H,4-5H2,1-3H3,(H,12,14)(H,13,16).
What are the key properties of 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide?
2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 55133100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).