N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide

C16H18N4O3 — CID 113041820

IUPACN-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C16H18N4O3/c1-10(2)16(21)18-15-6-5-14(19-20-15)17-8-11-3-4-12-13(7-11)23-9-22-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyONCVGZFXCKRHPS-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.41
Rot. Bonds5

About N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide

N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide (PubChem CID 113041820) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide
PubChem CID113041820
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C16H18N4O3/c1-10(2)16(21)18-15-6-5-14(19-20-15)17-8-11-3-4-12-13(7-11)23-9-22-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyONCVGZFXCKRHPS-UHFFFAOYSA-N
XLogP2.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113041856
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
methyl 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylate
CID 60757560
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041829
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118589
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109120416
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113041877
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide (CID 113041820) is N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide?
The InChIKey is ONCVGZFXCKRHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(2)16(21)18-15-6-5-14(19-20-15)17-8-11-3-4-12-13(7-11)23-9-22-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide?
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide has a molecular weight of 314.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 113041820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).