1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C18H15FN4O3 — CID 53157537

IUPAC1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3/c1-26-16-9-15(24)17(18(25)21-11-12-3-2-8-20-10-12)22-23(16)14-6-4-13(19)5-7-14/h2-10H,11H2,1H3,(H,21,25)
InChIKeyOUOAHJBKSZGDRU-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.71
Rot. Bonds5

About 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 53157537) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID53157537
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3/c1-26-16-9-15(24)17(18(25)21-11-12-3-2-8-20-10-12)22-23(16)14-6-4-13(19)5-7-14/h2-10H,11H2,1H3,(H,21,25)
InChIKeyOUOAHJBKSZGDRU-UHFFFAOYSA-N
XLogP1.71
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
1-(4-fluorophenyl)-6,7-dimethoxy-N-(pyridin-3-ylmethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39046743
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157498
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820483
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24538472

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 53157537) is 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is COc1cc(=O)c(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is OUOAHJBKSZGDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-26-16-9-15(24)17(18(25)21-11-12-3-2-8-20-10-12)22-23(16)14-6-4-13(19)5-7-14/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 53157537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).