4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide

C20H20N4O2 — CID 113041085

IUPAC4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-3-5-15(6-4-14)13-21-18-11-12-19(24-23-18)22-20(25)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyQHLBMQNGAYMOGF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.66
Rot. Bonds6

About 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide

4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041085) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041085
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-3-5-15(6-4-14)13-21-18-11-12-19(24-23-18)22-20(25)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyQHLBMQNGAYMOGF-UHFFFAOYSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041085) is 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide is COc1ccc(C(=O)Nc2ccc(NCc3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is QHLBMQNGAYMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-3-5-15(6-4-14)13-21-18-11-12-19(24-23-18)22-20(25)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).