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

C16H18N4O2 — CID 113041743

IUPACN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CNc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-6-2-11(3-7-13)10-17-14-8-9-15(20-19-14)18-16(21)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyWZLDIGGBDZTONF-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.45
Rot. Bonds6

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

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113041743) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113041743
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CNc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-6-2-11(3-7-13)10-17-14-8-9-15(20-19-14)18-16(21)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyWZLDIGGBDZTONF-UHFFFAOYSA-N
XLogP2.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide (CID 113041743) is N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide is COc1ccc(CNc2ccc(NC(=O)C3CC3)nn2)cc1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is WZLDIGGBDZTONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-13-6-2-11(3-7-13)10-17-14-8-9-15(20-19-14)18-16(21)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.45, 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]cyclopropanecarboxamide is sourced from PubChem (CID 113041743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).