N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C20H18FN3O2 — CID 41248002

IUPACN-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C20H18FN3O2/c1-13-3-8-17(11-14(13)2)22-20(26)18-9-10-19(25)24(23-18)12-15-4-6-16(21)7-5-15/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyOQKZTMXBYVHGAW-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.30
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 41248002) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID41248002
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C20H18FN3O2/c1-13-3-8-17(11-14(13)2)22-20(26)18-9-10-19(25)24(23-18)12-15-4-6-16(21)7-5-15/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyOQKZTMXBYVHGAW-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide 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-(3,4-dimethylphenyl)-1-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066184
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066181
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248150
N-(4-methylphenyl)-6-oxo-1-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 41247807
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066171
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248130
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-2-ylpyridazine-3-carboxamide
CID 30859072

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 41248002) is N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is OQKZTMXBYVHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-3-8-17(11-14(13)2)22-20(26)18-9-10-19(25)24(23-18)12-15-4-6-16(21)7-5-15/h3-11H,12H2,1-2H3,(H,22,26).
What are the key properties of N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 41248002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).