N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide

C15H19N5O3S — CID 53185748

IUPACN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide
SMILESCOc1nccnc1N1CCC(N(C)S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C15H19N5O3S/c1-19(24(21,22)13-4-3-6-16-10-13)12-5-9-20(11-12)14-15(23-2)18-8-7-17-14/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyOESCUEHUFDSKAW-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.78
Rot. Bonds5

About N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 53185748) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide
PubChem CID53185748
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide
SMILESCOc1nccnc1N1CCC(N(C)S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C15H19N5O3S/c1-19(24(21,22)13-4-3-6-16-10-13)12-5-9-20(11-12)14-15(23-2)18-8-7-17-14/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyOESCUEHUFDSKAW-UHFFFAOYSA-N
XLogP0.78
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide (CID 53185748) is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide is COc1nccnc1N1CCC(N(C)S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is OESCUEHUFDSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-19(24(21,22)13-4-3-6-16-10-13)12-5-9-20(11-12)14-15(23-2)18-8-7-17-14/h3-4,6-8,10,12H,5,9,11H2,1-2H3.
What are the key properties of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide?
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 53185748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).