N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide

C23H18ClN3O3 — CID 2033226

IUPACN-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
SMILESCc1ccc(-c2c(NC(=O)c3ccco3)n(-c3cccc(Cl)c3)nc(C)c2=O)cc1
InChIInChI=1S/C23H18ClN3O3/c1-14-8-10-16(11-9-14)20-21(28)15(2)26-27(18-6-3-5-17(24)13-18)22(20)25-23(29)19-7-4-12-30-19/h3-13H,1-2H3,(H,25,29)
InChIKeyHBWRPYVFUBAAEK-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.02
Rot. Bonds4

About N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide

N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide (PubChem CID 2033226) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
PubChem CID2033226
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
SMILESCc1ccc(-c2c(NC(=O)c3ccco3)n(-c3cccc(Cl)c3)nc(C)c2=O)cc1
InChIInChI=1S/C23H18ClN3O3/c1-14-8-10-16(11-9-14)20-21(28)15(2)26-27(18-6-3-5-17(24)13-18)22(20)25-23(29)19-7-4-12-30-19/h3-13H,1-2H3,(H,25,29)
InChIKeyHBWRPYVFUBAAEK-UHFFFAOYSA-N
XLogP5.02
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide (CID 2033226) is N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide is Cc1ccc(-c2c(NC(=O)c3ccco3)n(-c3cccc(Cl)c3)nc(C)c2=O)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide?
The InChIKey is HBWRPYVFUBAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-14-8-10-16(11-9-14)20-21(28)15(2)26-27(18-6-3-5-17(24)13-18)22(20)25-23(29)19-7-4-12-30-19/h3-13H,1-2H3,(H,25,29).
What are the key properties of N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide?
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 2033226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).