N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

C17H20N4O4 — CID 90639316

IUPACN-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(Oc3ccc(OC)nn3)C2)c1
InChIInChI=1S/C17H20N4O4/c1-23-13-5-3-4-12(10-13)18-17(22)21-9-8-14(11-21)25-16-7-6-15(24-2)19-20-16/h3-7,10,14H,8-9,11H2,1-2H3,(H,18,22)
InChIKeyXIOSTMMQZOOGDG-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.18
Rot. Bonds5

About N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90639316) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
PubChem CID90639316
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(Oc3ccc(OC)nn3)C2)c1
InChIInChI=1S/C17H20N4O4/c1-23-13-5-3-4-12(10-13)18-17(22)21-9-8-14(11-21)25-16-7-6-15(24-2)19-20-16/h3-7,10,14H,8-9,11H2,1-2H3,(H,18,22)
InChIKeyXIOSTMMQZOOGDG-UHFFFAOYSA-N
XLogP2.18
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 122259079
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (CID 90639316) is N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(Oc3ccc(OC)nn3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is XIOSTMMQZOOGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-13-5-3-4-12(10-13)18-17(22)21-9-8-14(11-21)25-16-7-6-15(24-2)19-20-16/h3-7,10,14H,8-9,11H2,1-2H3,(H,18,22).
What are the key properties of N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90639316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).