3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide

C21H22N4O3 — CID 113041180

IUPAC3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NC(C)c3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O3/c1-14(15-7-5-4-6-8-15)22-19-9-10-20(25-24-19)23-21(26)16-11-17(27-2)13-18(12-16)28-3/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyRDDBNOKTBYVSEQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.92
Rot. Bonds7

About 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide

3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide (PubChem CID 113041180) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
PubChem CID113041180
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NC(C)c3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O3/c1-14(15-7-5-4-6-8-15)22-19-9-10-20(25-24-19)23-21(26)16-11-17(27-2)13-18(12-16)28-3/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyRDDBNOKTBYVSEQ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113038583
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 42747404
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide (CID 113041180) is 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NC(C)c3ccccc3)nn2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The InChIKey is RDDBNOKTBYVSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(15-7-5-4-6-8-15)22-19-9-10-20(25-24-19)23-21(26)16-11-17(27-2)13-18(12-16)28-3/h4-14H,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).