N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

C21H22N4O3 — CID 109120227

IUPACN-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3cc(C)ccc3OC)nn2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-4-10-19(28-3)18(12-14)23-21(26)17-9-11-20(25-24-17)22-13-15-5-7-16(27-2)8-6-15/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKSIMRMNAKVSXLE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.67
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109120227) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109120227
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3cc(C)ccc3OC)nn2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-4-10-19(28-3)18(12-14)23-21(26)17-9-11-20(25-24-17)22-13-15-5-7-16(27-2)8-6-15/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKSIMRMNAKVSXLE-UHFFFAOYSA-N
XLogP3.67
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121317
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119698
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 109120227) is N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3cc(C)ccc3OC)nn2)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is KSIMRMNAKVSXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-4-10-19(28-3)18(12-14)23-21(26)17-9-11-20(25-24-17)22-13-15-5-7-16(27-2)8-6-15/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109120227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).