N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide

C19H24N4O2 — CID 113045043

IUPACN-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide
SMILESCC1CCCN(c2ccc(NC(=O)CCOc3ccccc3)nn2)C1
InChIInChI=1S/C19H24N4O2/c1-15-6-5-12-23(14-15)18-10-9-17(21-22-18)20-19(24)11-13-25-16-7-3-2-4-8-16/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,20,21,24)
InChIKeyAGXZJASPHNVNTA-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.12
Rot. Bonds6

About N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide

N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide (PubChem CID 113045043) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide
PubChem CID113045043
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide
SMILESCC1CCCN(c2ccc(NC(=O)CCOc3ccccc3)nn2)C1
InChIInChI=1S/C19H24N4O2/c1-15-6-5-12-23(14-15)18-10-9-17(21-22-18)20-19(24)11-13-25-16-7-3-2-4-8-16/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,20,21,24)
InChIKeyAGXZJASPHNVNTA-UHFFFAOYSA-N
XLogP3.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113045045
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124665
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide (CID 113045043) is N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide is CC1CCCN(c2ccc(NC(=O)CCOc3ccccc3)nn2)C1.
What is the InChIKey of N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide?
The InChIKey is AGXZJASPHNVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-6-5-12-23(14-15)18-10-9-17(21-22-18)20-19(24)11-13-25-16-7-3-2-4-8-16/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,20,21,24).
What are the key properties of N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide?
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide has a molecular weight of 340.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 113045043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).