5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide

C12H20N4O2 — CID 106238757

IUPAC5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide
SMILESCC(C)n1ccnc(NCCCCC(N)=O)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)16-8-7-15-11(12(16)18)14-6-4-3-5-10(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyDZUYFIQPCAQWGD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.89
Rot. Bonds7

About 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide

5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide (PubChem CID 106238757) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide
PubChem CID106238757
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide
SMILESCC(C)n1ccnc(NCCCCC(N)=O)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)16-8-7-15-11(12(16)18)14-6-4-3-5-10(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyDZUYFIQPCAQWGD-UHFFFAOYSA-N
XLogP0.89
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
3-(4-Aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one
CID 62939070
3-(3-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one
CID 62939235
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
3-(cyclohexylamino)-1-ethyl-2(1H)-pyrazinone
CID 53015097
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
3-(Cyclopentylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 53015104
3-(Cycloheptylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015096
(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 97259562
1-Propan-2-yl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115520672
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 120352542

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide?
The IUPAC name of 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide (CID 106238757) is 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide.
What is the SMILES notation for 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide?
The canonical SMILES for 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide is CC(C)n1ccnc(NCCCCC(N)=O)c1=O.
What is the InChIKey of 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide?
The InChIKey is DZUYFIQPCAQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)16-8-7-15-11(12(16)18)14-6-4-3-5-10(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide?
5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide has a molecular weight of 252.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanamide is sourced from PubChem (CID 106238757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).