N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C18H14ClN3O2 — CID 17396829

IUPACN-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C18H14ClN3O2/c1-12-10-16(23)17(21-22(12)15-8-3-2-4-9-15)18(24)20-14-7-5-6-13(19)11-14/h2-11H,1H3,(H,20,24)
InChIKeyDIQCBHUOVVSFKA-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.45
Rot. Bonds3

About N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 17396829) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID17396829
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C18H14ClN3O2/c1-12-10-16(23)17(21-22(12)15-8-3-2-4-9-15)18(24)20-14-7-5-6-13(19)11-14/h2-11H,1H3,(H,20,24)
InChIKeyDIQCBHUOVVSFKA-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 17396829) is N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DIQCBHUOVVSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-12-10-16(23)17(21-22(12)15-8-3-2-4-9-15)18(24)20-14-7-5-6-13(19)11-14/h2-11H,1H3,(H,20,24).
What are the key properties of N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 17396829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).