(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide

C22H22FN3O3 — CID 92880726

IUPAC(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H22FN3O3/c1-3-19(22(28)24-14-16-6-4-15(2)5-7-16)29-20-12-13-21(27)26(25-20)18-10-8-17(23)9-11-18/h4-13,19H,3,14H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyKCPMXHPRONWXMW-IBGZPJMESA-N
MW395.43 g/mol
LogP3.15
Rot. Bonds7

About (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide

(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 92880726) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide
PubChem CID92880726
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H22FN3O3/c1-3-19(22(28)24-14-16-6-4-15(2)5-7-16)29-20-12-13-21(27)26(25-20)18-10-8-17(23)9-11-18/h4-13,19H,3,14H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyKCPMXHPRONWXMW-IBGZPJMESA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454
(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92880705
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92880709
N-(4-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381392
(2R)-N-(4-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92895677
N-(3-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381436
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(3-methylsulfanylphenyl)butanamide
CID 92880766
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(3-methylsulfanylphenyl)butanamide
CID 92880765
ethyl 3-[[(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanoyl]amino]benzoate
CID 92880714
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381451
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381403
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 46381669

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide (CID 92880726) is (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide is CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is KCPMXHPRONWXMW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-3-19(22(28)24-14-16-6-4-15(2)5-7-16)29-20-12-13-21(27)26(25-20)18-10-8-17(23)9-11-18/h4-13,19H,3,14H2,1-2H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide?
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 395.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 92880726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).