N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

C21H21N5O3 — CID 109120236

IUPACN-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)23-16-5-7-17(8-6-16)24-21(28)19-11-12-20(26-25-19)22-13-15-3-9-18(29-2)10-4-15/h3-12H,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyWIYATZZPWLBARY-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.31
Rot. Bonds7

About N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109120236) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109120236
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)23-16-5-7-17(8-6-16)24-21(28)19-11-12-20(26-25-19)22-13-15-3-9-18(29-2)10-4-15/h3-12H,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyWIYATZZPWLBARY-UHFFFAOYSA-N
XLogP3.31
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854
6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122465
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 109120236) is N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is WIYATZZPWLBARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14(27)23-16-5-7-17(8-6-16)24-21(28)19-11-12-20(26-25-19)22-13-15-3-9-18(29-2)10-4-15/h3-12H,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109120236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).