N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide

C21H27N3O4S — CID 91904285

IUPACN,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)16-7-9-18(10-8-16)29(26,27)24-13-11-17(14-24)28-20-19(6-5-12-22-20)21(25)23(3)4/h5-10,12,15,17H,11,13-14H2,1-4H3
InChIKeySTZBWQWWAZKRIJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.75
Rot. Bonds6

About N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide

N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide (PubChem CID 91904285) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide
PubChem CID91904285
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)16-7-9-18(10-8-16)29(26,27)24-13-11-17(14-24)28-20-19(6-5-12-22-20)21(25)23(3)4/h5-10,12,15,17H,11,13-14H2,1-4H3
InChIKeySTZBWQWWAZKRIJ-UHFFFAOYSA-N
XLogP2.75
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide (CID 91904285) is N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1.
What is the InChIKey of N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
The InChIKey is STZBWQWWAZKRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15(2)16-7-9-18(10-8-16)29(26,27)24-13-11-17(14-24)28-20-19(6-5-12-22-20)21(25)23(3)4/h5-10,12,15,17H,11,13-14H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91904285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).