2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid

C16H16FN3O4 — CID 120534639

IUPAC2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C(=O)O
InChIInChI=1S/C16H16FN3O4/c1-2-5-12(16(23)24)18-15(22)11-8-9-14(21)20(19-11)13-7-4-3-6-10(13)17/h3-4,6-9,12H,2,5H2,1H3,(H,18,22)(H,23,24)
InChIKeySIWUIDYHAVOLCY-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.35
Rot. Bonds6

About 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid

2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid (PubChem CID 120534639) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
PubChem CID120534639
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C(=O)O
InChIInChI=1S/C16H16FN3O4/c1-2-5-12(16(23)24)18-15(22)11-8-9-14(21)20(19-11)13-7-4-3-6-10(13)17/h3-4,6-9,12H,2,5H2,1H3,(H,18,22)(H,23,24)
InChIKeySIWUIDYHAVOLCY-UHFFFAOYSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
2-ethyl-2-[[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]methyl]butanoic acid
CID 120533304
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708
N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
CID 120524043
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
N-[(1R)-1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473534
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473587
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid (CID 120534639) is 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid is CCCC(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C(=O)O.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid?
The InChIKey is SIWUIDYHAVOLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-2-5-12(16(23)24)18-15(22)11-8-9-14(21)20(19-11)13-7-4-3-6-10(13)17/h3-4,6-9,12H,2,5H2,1H3,(H,18,22)(H,23,24).
What are the key properties of 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid?
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid has a molecular weight of 333.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120534639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).