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

C20H18FN3O3 — CID 27376568

IUPAC1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O3/c1-27-18-5-3-2-4-15(18)12-22-20(26)17-10-11-19(25)24(23-17)13-14-6-8-16(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyASXYYSNCOQRBFS-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.37
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 27376568) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID27376568
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O3/c1-27-18-5-3-2-4-15(18)12-22-20(26)17-10-11-19(25)24(23-17)13-14-6-8-16(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyASXYYSNCOQRBFS-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 27451050
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-2-ylpyridazine-3-carboxamide
CID 30859072
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 27376568) is 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ASXYYSNCOQRBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-18-5-3-2-4-15(18)12-22-20(26)17-10-11-19(25)24(23-17)13-14-6-8-16(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).