5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C15H24N4O — CID 56990861

IUPAC5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCC=CCc1c(CN2CCN(C)CC2)c(N)c[nH]c1=O
InChIInChI=1S/C15H24N4O/c1-3-4-5-12-13(14(16)10-17-15(12)20)11-19-8-6-18(2)7-9-19/h3-4,10H,5-9,11,16H2,1-2H3,(H,17,20)
InChIKeyWEQOWUNCAGGHLJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.82
Rot. Bonds4

About 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 56990861) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID56990861
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCC=CCc1c(CN2CCN(C)CC2)c(N)c[nH]c1=O
InChIInChI=1S/C15H24N4O/c1-3-4-5-12-13(14(16)10-17-15(12)20)11-19-8-6-18(2)7-9-19/h3-4,10H,5-9,11,16H2,1-2H3,(H,17,20)
InChIKeyWEQOWUNCAGGHLJ-UHFFFAOYSA-N
XLogP0.82
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 57076169
3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 57142596
5-amino-3-but-2-enyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
CID 57172226
5-amino-3-butyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57196290
5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57221762
3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 57245086
3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57246408
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one
CID 57781804
4-(3-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyridin-2-one
CID 69105397
1-(4-Methylpiperazin-1-yl)-2-(2,4,4-triaminocyclohexa-1,5-dien-1-yl)ethanone
CID 69409128
5-[2-[(4-acetylpiperazin-1-yl)methyl]-1,2-dihydropyridin-6-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
CID 69539416
2-(2-oxo-1H-pyridin-4-yl)-2-piperidin-1-ylacetamide
CID 90219918

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 56990861) is 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is CC=CCc1c(CN2CCN(C)CC2)c(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is WEQOWUNCAGGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-5-12-13(14(16)10-17-15(12)20)11-19-8-6-18(2)7-9-19/h3-4,10H,5-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 56990861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).