2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid

C18H20FN3O4 — CID 119955090

IUPAC2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C18H20FN3O4/c1-4-11(2)21(10-16(24)25)18(26)17-15(23)9-12(3)22(20-17)14-8-6-5-7-13(14)19/h5-9,11H,4,10H2,1-3H3,(H,24,25)
InChIKeyGJJGSOLIFQGWNV-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.01
Rot. Bonds6

About 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid

2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid (PubChem CID 119955090) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid
PubChem CID119955090
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C18H20FN3O4/c1-4-11(2)21(10-16(24)25)18(26)17-15(23)9-12(3)22(20-17)14-8-6-5-7-13(14)19/h5-9,11H,4,10H2,1-3H3,(H,24,25)
InChIKeyGJJGSOLIFQGWNV-UHFFFAOYSA-N
XLogP2.01
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162
1-(2-fluorophenyl)-N-[1-(2-hydroxyphenyl)ethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 71847040
2-[butan-2-yl-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120529915
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-N,6-dimethyl-N-(4-methylcyclohexyl)-4-oxopyridazine-3-carboxamide
CID 47014577
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
(2S)-2-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119360996
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
CID 18100629

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid (CID 119955090) is 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid?
The InChIKey is GJJGSOLIFQGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-4-11(2)21(10-16(24)25)18(26)17-15(23)9-12(3)22(20-17)14-8-6-5-7-13(14)19/h5-9,11H,4,10H2,1-3H3,(H,24,25).
What are the key properties of 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid?
2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119955090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).