7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid

C18H20FN3O4 — CID 120524043

IUPAC7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc(=O)n(-c2ccccc2F)n1
InChIInChI=1S/C18H20FN3O4/c19-13-7-4-5-8-15(13)22-16(23)11-10-14(21-22)18(26)20-12-6-2-1-3-9-17(24)25/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,20,26)(H,24,25)
InChIKeyCOWXAJMVVXPHAD-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.14
Rot. Bonds9

About 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid

7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid (PubChem CID 120524043) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
PubChem CID120524043
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc(=O)n(-c2ccccc2F)n1
InChIInChI=1S/C18H20FN3O4/c19-13-7-4-5-8-15(13)22-16(23)11-10-14(21-22)18(26)20-12-6-2-1-3-9-17(24)25/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,20,26)(H,24,25)
InChIKeyCOWXAJMVVXPHAD-UHFFFAOYSA-N
XLogP2.14
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708
2-ethyl-2-[[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]methyl]butanoic acid
CID 120533304
6-[[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]hexanoic acid
CID 119352122
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639
7-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]heptanoic acid
CID 120524080
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110630786
N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 166397699
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid (CID 120524043) is 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1ccc(=O)n(-c2ccccc2F)n1.
What is the InChIKey of 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid?
The InChIKey is COWXAJMVVXPHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c19-13-7-4-5-8-15(13)22-16(23)11-10-14(21-22)18(26)20-12-6-2-1-3-9-17(24)25/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,20,26)(H,24,25).
What are the key properties of 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid?
7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid has a molecular weight of 361.37 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 120524043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).