4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

C15H14FN3O4 — CID 110671639

IUPAC4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)11(6-8-14(21)22)17-15(23)12-5-7-13(20)19-18-12/h1-5,7,11H,6,8H2,(H,17,23)(H,19,20)(H,21,22)
InChIKeySOUSVAFCCNLVLD-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.24
Rot. Bonds6

About 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 110671639) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID110671639
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)11(6-8-14(21)22)17-15(23)12-5-7-13(20)19-18-12/h1-5,7,11H,6,8H2,(H,17,23)(H,19,20)(H,21,22)
InChIKeySOUSVAFCCNLVLD-UHFFFAOYSA-N
XLogP1.24
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 110671639) is 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid is O=C(O)CCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is SOUSVAFCCNLVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)11(6-8-14(21)22)17-15(23)12-5-7-13(20)19-18-12/h1-5,7,11H,6,8H2,(H,17,23)(H,19,20)(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 319.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110671639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).