5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine

C17H21N3O4S — CID 129004923

IUPAC5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nc3)C2)cn1
InChIInChI=1S/C17H21N3O4S/c1-3-23-17-7-6-16(11-19-17)25(21,22)20-9-8-15(12-20)24-14-5-4-13(2)18-10-14/h4-7,10-11,15H,3,8-9,12H2,1-2H3
InChIKeyIQBGIKNEVPNHPX-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.03
Rot. Bonds6

About 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine

5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine (PubChem CID 129004923) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine.

Molecular Properties

Compound Name5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
PubChem CID129004923
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nc3)C2)cn1
InChIInChI=1S/C17H21N3O4S/c1-3-23-17-7-6-16(11-19-17)25(21,22)20-9-8-15(12-20)24-14-5-4-13(2)18-10-14/h4-7,10-11,15H,3,8-9,12H2,1-2H3
InChIKeyIQBGIKNEVPNHPX-UHFFFAOYSA-N
XLogP2.03
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-3-thiol
CID 88954919
6-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-3H-2-benzofuran-1-one
CID 129339619
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
CID 90566588
6-[3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 129004903
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
CID 90639842
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
CID 129333815
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine?
The IUPAC name of 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine (CID 129004923) is 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine.
What is the SMILES notation for 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine?
The canonical SMILES for 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine is CCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nc3)C2)cn1.
What is the InChIKey of 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine?
The InChIKey is IQBGIKNEVPNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-23-17-7-6-16(11-19-17)25(21,22)20-9-8-15(12-20)24-14-5-4-13(2)18-10-14/h4-7,10-11,15H,3,8-9,12H2,1-2H3.
What are the key properties of 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine?
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine has a molecular weight of 363.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine is sourced from PubChem (CID 129004923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).