4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide

C20H20N4O2 — CID 113041179

IUPAC4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(15-6-4-3-5-7-15)21-18-12-13-19(24-23-18)22-20(25)16-8-10-17(26-2)11-9-16/h3-14H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyAANUMMMGSUNXJB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.91
Rot. Bonds6

About 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide

4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide (PubChem CID 113041179) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
PubChem CID113041179
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(15-6-4-3-5-7-15)21-18-12-13-19(24-23-18)22-20(25)16-8-10-17(26-2)11-9-16/h3-14H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyAANUMMMGSUNXJB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
CID 113038582
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide (CID 113041179) is 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide is COc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The InChIKey is AANUMMMGSUNXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(15-6-4-3-5-7-15)21-18-12-13-19(24-23-18)22-20(25)16-8-10-17(26-2)11-9-16/h3-14H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.91, 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-(1-phenylethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).