N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C20H15FN4O3 — CID 49182482

IUPACN-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C20H15FN4O3/c1-12-9-17(26)19(24-25(12)16-6-4-3-5-14(16)21)20(27)23-15-10-13(11-22)7-8-18(15)28-2/h3-10H,1-2H3,(H,23,27)
InChIKeyYHCLKAYILNTIRX-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.81
Rot. Bonds4

About N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 49182482) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID49182482
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC NameN-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C20H15FN4O3/c1-12-9-17(26)19(24-25(12)16-6-4-3-5-14(16)21)20(27)23-15-10-13(11-22)7-8-18(15)28-2/h3-10H,1-2H3,(H,23,27)
InChIKeyYHCLKAYILNTIRX-UHFFFAOYSA-N
XLogP2.81
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55413362
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
N-(5-carbamoyl-2-methoxyphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55783094
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46636739
methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24509329
N-(3-ethynylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18147874
1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-thiophen-2-ylphenyl)pyridazine-3-carboxamide
CID 18284299
1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide
CID 26706128
1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 32638790

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 49182482) is N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is COc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is YHCLKAYILNTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-12-9-17(26)19(24-25(12)16-6-4-3-5-14(16)21)20(27)23-15-10-13(11-22)7-8-18(15)28-2/h3-10H,1-2H3,(H,23,27).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 49182482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).