[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate

C19H22FN3O4 — CID 55400244

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)N(C)Cc2ccccc2F)ccc1=O
InChIInChI=1S/C19H22FN3O4/c1-3-4-11-23-17(24)10-9-16(21-23)19(26)27-13-18(25)22(2)12-14-7-5-6-8-15(14)20/h5-10H,3-4,11-13H2,1-2H3
InChIKeyIXONTGBOZXHWLB-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.00
Rot. Bonds8

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 55400244) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID55400244
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)N(C)Cc2ccccc2F)ccc1=O
InChIInChI=1S/C19H22FN3O4/c1-3-4-11-23-17(24)10-9-16(21-23)19(26)27-13-18(25)22(2)12-14-7-5-6-8-15(14)20/h5-10H,3-4,11-13H2,1-2H3
InChIKeyIXONTGBOZXHWLB-UHFFFAOYSA-N
XLogP2.00
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55981672
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197053
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695777
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734635
1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835
(2-oxo-2-phenothiazin-10-ylethyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695655
2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682303
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 55401198
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18169949
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346520
(2-ethoxyphenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 78770287

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate (CID 55400244) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OCC(=O)N(C)Cc2ccccc2F)ccc1=O.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is IXONTGBOZXHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-3-4-11-23-17(24)10-9-16(21-23)19(26)27-13-18(25)22(2)12-14-7-5-6-8-15(14)20/h5-10H,3-4,11-13H2,1-2H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 55400244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).