6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide

C21H22N4O3 — CID 109119015

IUPAC6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-25(14-15-7-5-4-6-8-15)20-12-10-17(23-24-20)21(26)22-16-9-11-18(27-2)19(13-16)28-3/h4-13H,14H2,1-3H3,(H,22,26)
InChIKeyRFERDASGTRHZNG-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.38
Rot. Bonds7

About 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide

6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109119015) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109119015
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-25(14-15-7-5-4-6-8-15)20-12-10-17(23-24-20)21(26)22-16-9-11-18(27-2)19(13-16)28-3/h4-13H,14H2,1-3H3,(H,22,26)
InChIKeyRFERDASGTRHZNG-UHFFFAOYSA-N
XLogP3.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
6-[butyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109125613
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide (CID 109119015) is 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nn2)cc1OC.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is RFERDASGTRHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(14-15-7-5-4-6-8-15)20-12-10-17(23-24-20)21(26)22-16-9-11-18(27-2)19(13-16)28-3/h4-13H,14H2,1-3H3,(H,22,26).
What are the key properties of 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).