N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide

C20H20N4O2 — CID 113046357

IUPACN-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(C)c(C)c3)nn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-16(11-14(13)2)21-18-9-10-19(24-23-18)22-20(25)15-5-4-6-17(12-15)26-3/h4-12H,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyFXWQEKGTPDIWQK-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

About N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide (PubChem CID 113046357) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
PubChem CID113046357
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(C)c(C)c3)nn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-16(11-14(13)2)21-18-9-10-19(24-23-18)22-20(25)15-5-4-6-17(12-15)26-3/h4-12H,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyFXWQEKGTPDIWQK-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113048755
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide (CID 113046357) is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(C)c(C)c3)nn2)c1.
What is the InChIKey of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
The InChIKey is FXWQEKGTPDIWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-8-16(11-14(13)2)21-18-9-10-19(24-23-18)22-20(25)15-5-4-6-17(12-15)26-3/h4-12H,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 113046357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).