1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide

C20H17ClN4O3 — CID 9091495

IUPAC1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1
InChIInChI=1S/C20H17ClN4O3/c1-12-11-17(26)18(24-25(12)16-6-4-3-5-15(16)21)20(28)23-14-9-7-13(8-10-14)19(27)22-2/h3-11H,1-2H3,(H,22,27)(H,23,28)
InChIKeyZMZZWKXZWXFICO-UHFFFAOYSA-N
MW396.83 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide (PubChem CID 9091495) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
PubChem CID9091495
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1
InChIInChI=1S/C20H17ClN4O3/c1-12-11-17(26)18(24-25(12)16-6-4-3-5-15(16)21)20(28)23-14-9-7-13(8-10-14)19(27)22-2/h3-11H,1-2H3,(H,22,27)(H,23,28)
InChIKeyZMZZWKXZWXFICO-UHFFFAOYSA-N
XLogP2.81
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide (CID 9091495) is 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide is CNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is ZMZZWKXZWXFICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-12-11-17(26)18(24-25(12)16-6-4-3-5-15(16)21)20(28)23-14-9-7-13(8-10-14)19(27)22-2/h3-11H,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9091495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).