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

C19H18N4O2 — CID 113041752

IUPACN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-7-14(8-10-16)13-20-17-11-12-18(23-22-17)21-19(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyGZGNXQWXDSOAKD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds6

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

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041752) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041752
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-7-14(8-10-16)13-20-17-11-12-18(23-22-17)21-19(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyGZGNXQWXDSOAKD-UHFFFAOYSA-N
XLogP3.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
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-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041752) is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is COc1ccc(CNc2ccc(NC(=O)c3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is GZGNXQWXDSOAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-16-9-7-14(8-10-16)13-20-17-11-12-18(23-22-17)21-19(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).