2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C19H22FN3O4S — CID 91904282

IUPAC2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1F
InChIInChI=1S/C19H22FN3O4S/c1-13-6-7-15(11-17(13)20)28(25,26)23-10-8-14(12-23)27-18-16(5-4-9-21-18)19(24)22(2)3/h4-7,9,11,14H,8,10,12H2,1-3H3
InChIKeyGROCVKRIMCRUBP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.07
Rot. Bonds5

About 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91904282) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91904282
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1F
InChIInChI=1S/C19H22FN3O4S/c1-13-6-7-15(11-17(13)20)28(25,26)23-10-8-14(12-23)27-18-16(5-4-9-21-18)19(24)22(2)3/h4-7,9,11,14H,8,10,12H2,1-3H3
InChIKeyGROCVKRIMCRUBP-UHFFFAOYSA-N
XLogP2.07
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904295
3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
CID 124888903
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
(3S,4S)-4-[(dimethylamino)methyl]-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-3-ol
CID 131915170
3-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 110089134
methyl 4-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzoate
CID 129417585

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91904282) is 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is GROCVKRIMCRUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-13-6-7-15(11-17(13)20)28(25,26)23-10-8-14(12-23)27-18-16(5-4-9-21-18)19(24)22(2)3/h4-7,9,11,14H,8,10,12H2,1-3H3.
What are the key properties of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91904282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).