3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one

C18H24N6O2 — CID 70926051

IUPAC3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESNCCCCN(CCC(=O)c1cnccn1)CCC(=O)c1cnccn1
InChIInChI=1S/C18H24N6O2/c19-5-1-2-10-24(11-3-17(25)15-13-20-6-8-22-15)12-4-18(26)16-14-21-7-9-23-16/h6-9,13-14H,1-5,10-12,19H2
InChIKeyGIVGIHLBFPYRHV-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.15
Rot. Bonds12

About 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one

3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 70926051) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID70926051
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESNCCCCN(CCC(=O)c1cnccn1)CCC(=O)c1cnccn1
InChIInChI=1S/C18H24N6O2/c19-5-1-2-10-24(11-3-17(25)15-13-20-6-8-22-15)12-4-18(26)16-14-21-7-9-23-16/h6-9,13-14H,1-5,10-12,19H2
InChIKeyGIVGIHLBFPYRHV-UHFFFAOYSA-N
XLogP1.15
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one with MolForge

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Related Compounds

7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
1-pyrazin-2-ylhexan-1-one
CID 22507174
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 65098159
3-[4-aminobutyl-[3-(5-bromothiophen-2-yl)-3-oxopropyl]amino]-1-(5-bromothiophen-2-yl)propan-1-one
CID 70926054
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359
2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
CID 116599519
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
CID 103147034

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one (CID 70926051) is 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one is NCCCCN(CCC(=O)c1cnccn1)CCC(=O)c1cnccn1.
What is the InChIKey of 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is GIVGIHLBFPYRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c19-5-1-2-10-24(11-3-17(25)15-13-20-6-8-22-15)12-4-18(26)16-14-21-7-9-23-16/h6-9,13-14H,1-5,10-12,19H2.
What are the key properties of 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.15, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 70926051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).