N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H12ClN3O2 — CID 8502280

IUPACN-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-4-9(14)7-11(8)15-13(19)10-5-6-12(18)17(2)16-10/h3-7H,1-2H3,(H,15,19)
InChIKeyPPYMZFCQMCZNOQ-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.99
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 8502280) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID8502280
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-4-9(14)7-11(8)15-13(19)10-5-6-12(18)17(2)16-10/h3-7H,1-2H3,(H,15,19)
InChIKeyPPYMZFCQMCZNOQ-UHFFFAOYSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 8502280) is N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PPYMZFCQMCZNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-3-4-9(14)7-11(8)15-13(19)10-5-6-12(18)17(2)16-10/h3-7H,1-2H3,(H,15,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).