4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide

C21H20FN3O2 — CID 16884953

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)c1
InChIInChI=1S/C21H20FN3O2/c1-15-4-2-5-18(14-15)23-20(26)6-3-13-25-21(27)12-11-19(24-25)16-7-9-17(22)10-8-16/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,23,26)
InChIKeyOFYYZLRQKXJTSI-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.78
Rot. Bonds6

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

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide (PubChem CID 16884953) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
PubChem CID16884953
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)c1
InChIInChI=1S/C21H20FN3O2/c1-15-4-2-5-18(14-15)23-20(26)6-3-13-25-21(27)12-11-19(24-25)16-7-9-17(22)10-8-16/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,23,26)
InChIKeyOFYYZLRQKXJTSI-UHFFFAOYSA-N
XLogP3.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16884961
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 16884849

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide (CID 16884953) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
The InChIKey is OFYYZLRQKXJTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-15-4-2-5-18(14-15)23-20(26)6-3-13-25-21(27)12-11-19(24-25)16-7-9-17(22)10-8-16/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,23,26).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide has a molecular weight of 365.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 16884953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).