3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine

C15H19N5O3S — CID 53185588

IUPAC3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCOc1nccnc1NC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H19N5O3S/c1-23-15-14(17-7-8-18-15)19-12-4-9-20(10-5-12)24(21,22)13-3-2-6-16-11-13/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H,17,19)
InChIKeyONJALTQUBIGFHA-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.15
Rot. Bonds5

About 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine

3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 53185588) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
PubChem CID53185588
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCOc1nccnc1NC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H19N5O3S/c1-23-15-14(17-7-8-18-15)19-12-4-9-20(10-5-12)24(21,22)13-3-2-6-16-11-13/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H,17,19)
InChIKeyONJALTQUBIGFHA-UHFFFAOYSA-N
XLogP1.15
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine (CID 53185588) is 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine is COc1nccnc1NC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is ONJALTQUBIGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-23-15-14(17-7-8-18-15)19-12-4-9-20(10-5-12)24(21,22)13-3-2-6-16-11-13/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H,17,19).
What are the key properties of 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 349.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 53185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).