N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

C19H15ClFN3O4 — CID 8557296

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC
InChIInChI=1S/C19H15ClFN3O4/c1-27-15-8-3-11(20)9-14(15)22-19(26)18-16(28-2)10-17(25)24(23-18)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H,22,26)
InChIKeyNMGVSMSIOTYGSF-UHFFFAOYSA-N
MW403.80 g/mol
LogP3.29
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 8557296) has the molecular formula C19H15ClFN3O4 and a molecular weight of 403.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID8557296
Molecular FormulaC19H15ClFN3O4
Molecular Weight403.80 g/mol
Exact Mass403.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC
InChIInChI=1S/C19H15ClFN3O4/c1-27-15-8-3-11(20)9-14(15)22-19(26)18-16(28-2)10-17(25)24(23-18)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H,22,26)
InChIKeyNMGVSMSIOTYGSF-UHFFFAOYSA-N
XLogP3.29
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 8557296) is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is NMGVSMSIOTYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O4/c1-27-15-8-3-11(20)9-14(15)22-19(26)18-16(28-2)10-17(25)24(23-18)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 403.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8557296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).