N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide

C22H24N4O2 — CID 109128331

IUPACN-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)15-9-11-16(12-10-15)23-21(27)18-13-14-20(26-25-18)24-17-7-5-6-8-19(17)28-4/h5-14H,1-4H3,(H,23,27)(H,24,26)
InChIKeyUHRUFIVDAZHKOX-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.78
Rot. Bonds5

About N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide

N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109128331) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109128331
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)15-9-11-16(12-10-15)23-21(27)18-13-14-20(26-25-18)24-17-7-5-6-8-19(17)28-4/h5-14H,1-4H3,(H,23,27)(H,24,26)
InChIKeyUHRUFIVDAZHKOX-UHFFFAOYSA-N
XLogP4.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128272
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide (CID 109128331) is N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide is COc1ccccc1Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is UHRUFIVDAZHKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)15-9-11-16(12-10-15)23-21(27)18-13-14-20(26-25-18)24-17-7-5-6-8-19(17)28-4/h5-14H,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).