butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium

C20H31N4O3+ — CID 3477391

IUPACbutyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium
SMILESCCCC[NH+](C)CCNC(=O)CN1NC(c2ccc(OC)cc2)=CCC1=O
InChIInChI=1S/C20H30N4O3/c1-4-5-13-23(2)14-12-21-19(25)15-24-20(26)11-10-18(22-24)16-6-8-17(27-3)9-7-16/h6-10,22H,4-5,11-15H2,1-3H3,(H,21,25)/p+1
InChIKeyQTTLOVNRUKMKCV-UHFFFAOYSA-O
MW375.49 g/mol
LogP0.20
Rot. Bonds10

About butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium

butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium (PubChem CID 3477391) has the molecular formula C20H31N4O3+ and a molecular weight of 375.49 g/mol. Its IUPAC name is butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium.

Molecular Properties

Compound Namebutyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium
PubChem CID3477391
Molecular FormulaC20H31N4O3+
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Namebutyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium
SMILESCCCC[NH+](C)CCNC(=O)CN1NC(c2ccc(OC)cc2)=CCC1=O
InChIInChI=1S/C20H30N4O3/c1-4-5-13-23(2)14-12-21-19(25)15-24-20(26)11-10-18(22-24)16-6-8-17(27-3)9-7-16/h6-10,22H,4-5,11-15H2,1-3H3,(H,21,25)/p+1
InChIKeyQTTLOVNRUKMKCV-UHFFFAOYSA-O
XLogP0.20
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium with MolForge

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Related Compounds

dimethyl-[2-[[2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]azanium
CID 3574498
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 3303097
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]acetamide
CID 3645212
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 4171539
6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
CID 4074598
N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3295262
N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 5060364
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495110
N-(furan-2-ylmethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3424095
6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
CID 4118469
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914

Frequently Asked Questions

What is the IUPAC name of butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium?
The IUPAC name of butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium (CID 3477391) is butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium.
What is the SMILES notation for butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium?
The canonical SMILES for butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium is CCCC[NH+](C)CCNC(=O)CN1NC(c2ccc(OC)cc2)=CCC1=O.
What is the InChIKey of butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium?
The InChIKey is QTTLOVNRUKMKCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30N4O3/c1-4-5-13-23(2)14-12-21-19(25)15-24-20(26)11-10-18(22-24)16-6-8-17(27-3)9-7-16/h6-10,22H,4-5,11-15H2,1-3H3,(H,21,25)/p+1.
What are the key properties of butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium?
butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium has a molecular weight of 375.49 g/mol, XLogP of 0.20, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium is sourced from PubChem (CID 3477391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).