3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

C18H22FN5O2 — CID 90639799

IUPAC3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(OC2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C18H22FN5O2/c1-23(2)16-7-8-17(22-21-16)26-15-9-10-24(12-15)18(25)20-11-13-3-5-14(19)6-4-13/h3-8,15H,9-12H2,1-2H3,(H,20,25)
InChIKeyHUIHHLIQCHLCPO-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.04
Rot. Bonds5

About 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 90639799) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID90639799
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(OC2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C18H22FN5O2/c1-23(2)16-7-8-17(22-21-16)26-15-9-10-24(12-15)18(25)20-11-13-3-5-14(19)6-4-13/h3-8,15H,9-12H2,1-2H3,(H,20,25)
InChIKeyHUIHHLIQCHLCPO-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100637128
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90639595
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
CID 100640493
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 90639799) is 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is CN(C)c1ccc(OC2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1.
What is the InChIKey of 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is HUIHHLIQCHLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-23(2)16-7-8-17(22-21-16)26-15-9-10-24(12-15)18(25)20-11-13-3-5-14(19)6-4-13/h3-8,15H,9-12H2,1-2H3,(H,20,25).
What are the key properties of 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 90639799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).