N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide

C20H17ClFN3O5 — CID 53157720

IUPACN-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(OC)cc(-n2nc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)cc2OC)c1
InChIInChI=1S/C20H17ClFN3O5/c1-28-13-7-12(8-14(9-13)29-2)25-18(30-3)10-17(26)19(24-25)20(27)23-11-4-5-16(22)15(21)6-11/h4-10H,1-3H3,(H,23,27)
InChIKeyJNYAZFOTNOEOIV-UHFFFAOYSA-N
MW433.82 g/mol
LogP3.30
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide (PubChem CID 53157720) has the molecular formula C20H17ClFN3O5 and a molecular weight of 433.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
PubChem CID53157720
Molecular FormulaC20H17ClFN3O5
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(OC)cc(-n2nc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)cc2OC)c1
InChIInChI=1S/C20H17ClFN3O5/c1-28-13-7-12(8-14(9-13)29-2)25-18(30-3)10-17(26)19(24-25)20(27)23-11-4-5-16(22)15(21)6-11/h4-10H,1-3H3,(H,23,27)
InChIKeyJNYAZFOTNOEOIV-UHFFFAOYSA-N
XLogP3.30
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599387
N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157827
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
1-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8530886
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 58941929

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide (CID 53157720) is N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide is COc1cc(OC)cc(-n2nc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)cc2OC)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The InChIKey is JNYAZFOTNOEOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O5/c1-28-13-7-12(8-14(9-13)29-2)25-18(30-3)10-17(26)19(24-25)20(27)23-11-4-5-16(22)15(21)6-11/h4-10H,1-3H3,(H,23,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide has a molecular weight of 433.82 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53157720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).