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

C22H22FN3O2 — CID 16885718

IUPACN-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H22FN3O2/c1-16-4-8-18(9-5-16)20-12-13-22(28)26(25-20)14-2-3-21(27)24-15-17-6-10-19(23)11-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,27)
InChIKeyWADKCUVJBPZYHJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.45
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885718) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885718
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H22FN3O2/c1-16-4-8-18(9-5-16)20-12-13-22(28)26(25-20)14-2-3-21(27)24-15-17-6-10-19(23)11-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,27)
InChIKeyWADKCUVJBPZYHJ-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885019
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3,5-difluorophenyl)methyl]propanamide
CID 71825213

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885718) is N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is Cc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is WADKCUVJBPZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-16-4-8-18(9-5-16)20-12-13-22(28)26(25-20)14-2-3-21(27)24-15-17-6-10-19(23)11-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 379.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).