(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

C16H21N5O2S — CID 100637128

IUPAC(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)nn1
InChIInChI=1S/C16H21N5O2S/c1-20(2)14-5-6-15(19-18-14)23-12-7-8-21(11-12)16(22)17-10-13-4-3-9-24-13/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeyIOGGLICCDOBFLN-GFCCVEGCSA-N
MW347.44 g/mol
LogP1.97
Rot. Bonds5

About (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 100637128) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID100637128
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)nn1
InChIInChI=1S/C16H21N5O2S/c1-20(2)14-5-6-15(19-18-14)23-12-7-8-21(11-12)16(22)17-10-13-4-3-9-24-13/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeyIOGGLICCDOBFLN-GFCCVEGCSA-N
XLogP1.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100612439
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90639772
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90639617

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (CID 100637128) is (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is CN(C)c1ccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)nn1.
What is the InChIKey of (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is IOGGLICCDOBFLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-20(2)14-5-6-15(19-18-14)23-12-7-8-21(11-12)16(22)17-10-13-4-3-9-24-13/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,17,22)/t12-/m1/s1.
What are the key properties of (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100637128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).