N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide

C13H12ClN3O3 — CID 90509434

IUPACN-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)nn1
InChIInChI=1S/C13H12ClN3O3/c1-19-11-5-3-8(7-9(11)14)15-13(18)10-4-6-12(20-2)17-16-10/h3-7H,1-2H3,(H,15,18)
InChIKeyRTFRXAALBOUFAQ-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.40
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide (PubChem CID 90509434) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
PubChem CID90509434
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)nn1
InChIInChI=1S/C13H12ClN3O3/c1-19-11-5-3-8(7-9(11)14)15-13(18)10-4-6-12(20-2)17-16-10/h3-7H,1-2H3,(H,15,18)
InChIKeyRTFRXAALBOUFAQ-UHFFFAOYSA-N
XLogP2.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199580
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide (CID 90509434) is N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)nn1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide?
The InChIKey is RTFRXAALBOUFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-19-11-5-3-8(7-9(11)14)15-13(18)10-4-6-12(20-2)17-16-10/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).