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

C17H18FN3O4 — CID 119193091

IUPAC2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O4/c1-11(2)9-20(10-16(23)24)17(25)14-7-8-15(22)21(19-14)13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,23,24)
InChIKeyYNEHNEVHTCMGPX-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.55
Rot. Bonds6

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

2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193091) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193091
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O4/c1-11(2)9-20(10-16(23)24)17(25)14-7-8-15(22)21(19-14)13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,23,24)
InChIKeyYNEHNEVHTCMGPX-UHFFFAOYSA-N
XLogP1.55
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 100676394
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192760
1-(4-fluorophenyl)-6-oxo-N-(2-phenylethyl)-N-prop-2-enylpyridazine-3-carboxamide
CID 47082609
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
(2S,3S)-2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119194132
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193122
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55630714

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193091) is 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is YNEHNEVHTCMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11(2)9-20(10-16(23)24)17(25)14-7-8-15(22)21(19-14)13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 347.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).