N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide

C22H24N4O3 — CID 109123473

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccc(C)cc3C)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-7-17(15(2)11-14)24-21-10-8-18(25-26-21)22(27)23-13-16-6-9-19(28-3)20(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyVIIZHQPUWQCGSD-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109123473) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109123473
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccc(C)cc3C)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-7-17(15(2)11-14)24-21-10-8-18(25-26-21)22(27)23-13-16-6-9-19(28-3)20(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyVIIZHQPUWQCGSD-UHFFFAOYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109352464
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109122177
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109123460
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110513
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide (CID 109123473) is N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3ccc(C)cc3C)nn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is VIIZHQPUWQCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-5-7-17(15(2)11-14)24-21-10-8-18(25-26-21)22(27)23-13-16-6-9-19(28-3)20(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109123473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).