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

C12H20N4O2 — CID 55130604

IUPACN-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nccn(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-4-9(2)15-10(17)5-6-13-11-12(18)16(3)8-7-14-11/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyHRWSHMPWUPVMGY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.50
Rot. Bonds6

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

N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide (PubChem CID 55130604) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
PubChem CID55130604
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nccn(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-4-9(2)15-10(17)5-6-13-11-12(18)16(3)8-7-14-11/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyHRWSHMPWUPVMGY-UHFFFAOYSA-N
XLogP0.50
TPSA76.02 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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide (CID 55130604) is N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide is CCC(C)NC(=O)CCNc1nccn(C)c1=O.
What is the InChIKey of N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide?
The InChIKey is HRWSHMPWUPVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-9(2)15-10(17)5-6-13-11-12(18)16(3)8-7-14-11/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide?
N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide is sourced from PubChem (CID 55130604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).