(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide

C14H16N4O3S — CID 100633412

IUPAC(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1
InChIInChI=1S/C14H16N4O3S/c1-20-11-4-5-12(17-16-11)21-10-6-7-18(9-10)14(19)15-13-3-2-8-22-13/h2-5,8,10H,6-7,9H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyZDTHSISNIRORQB-SNVBAGLBSA-N
MW320.37 g/mol
LogP2.23
Rot. Bonds4

About (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide

(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 100633412) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID100633412
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1
InChIInChI=1S/C14H16N4O3S/c1-20-11-4-5-12(17-16-11)21-10-6-7-18(9-10)14(19)15-13-3-2-8-22-13/h2-5,8,10H,6-7,9H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyZDTHSISNIRORQB-SNVBAGLBSA-N
XLogP2.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100740167
3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 91815876
(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100754062
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
N-thiophen-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798781
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide (CID 100633412) is (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide is COc1ccc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1.
What is the InChIKey of (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ZDTHSISNIRORQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-20-11-4-5-12(17-16-11)21-10-6-7-18(9-10)14(19)15-13-3-2-8-22-13/h2-5,8,10H,6-7,9H2,1H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).