4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide

C11H18N4O2 — CID 62940196

IUPAC4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
SMILESCCCn1ccnc(NCCCC(N)=O)c1=O
InChIInChI=1S/C11H18N4O2/c1-2-7-15-8-6-14-10(11(15)17)13-5-3-4-9(12)16/h6,8H,2-5,7H2,1H3,(H2,12,16)(H,13,14)
InChIKeyJIKCYXVXDYMJNM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.33
Rot. Bonds7

About 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide

4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide (PubChem CID 62940196) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
PubChem CID62940196
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
SMILESCCCn1ccnc(NCCCC(N)=O)c1=O
InChIInChI=1S/C11H18N4O2/c1-2-7-15-8-6-14-10(11(15)17)13-5-3-4-9(12)16/h6,8H,2-5,7H2,1H3,(H2,12,16)(H,13,14)
InChIKeyJIKCYXVXDYMJNM-UHFFFAOYSA-N
XLogP0.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.33
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

6-[(3-oxo-4-propylpyrazin-2-yl)amino]hexanoic acid
CID 62938901
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 79400978
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-[3-(2-chloroethoxy)propylamino]-1-propylpyrazin-2-one
CID 114171266
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
The IUPAC name of 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide (CID 62940196) is 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
The canonical SMILES for 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide is CCCn1ccnc(NCCCC(N)=O)c1=O.
What is the InChIKey of 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
The InChIKey is JIKCYXVXDYMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-7-15-8-6-14-10(11(15)17)13-5-3-4-9(12)16/h6,8H,2-5,7H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide?
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide has a molecular weight of 238.29 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide is sourced from PubChem (CID 62940196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).