1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide

C20H18FN3O3 — CID 32638790

IUPAC1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOCc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1
InChIInChI=1S/C20H18FN3O3/c1-13-10-18(25)19(23-24(13)17-9-4-3-8-16(17)21)20(26)22-15-7-5-6-14(11-15)12-27-2/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyWIPQTDMMZLYZGQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 32638790) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID32638790
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOCc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1
InChIInChI=1S/C20H18FN3O3/c1-13-10-18(25)19(23-24(13)17-9-4-3-8-16(17)21)20(26)22-15-7-5-6-14(11-15)12-27-2/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyWIPQTDMMZLYZGQ-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethynylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18147874
N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 42023057
1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
N-(1-benzylpyrazol-4-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55948220
N-[4-(dimethylamino)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 92517374
N-[4-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9084555
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24509329
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26706083

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 32638790) is 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide is COCc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is WIPQTDMMZLYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-10-18(25)19(23-24(13)17-9-4-3-8-16(17)21)20(26)22-15-7-5-6-14(11-15)12-27-2/h3-11H,12H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32638790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).