N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine

C19H26N6O3S — CID 110094133

IUPACN-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCc1cccc(Nc2cncc(C3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)n1
InChIInChI=1S/C19H26N6O3S/c1-15-3-2-4-18(21-15)23-19-14-20-13-17(22-19)16-5-7-24(8-6-16)29(26,27)25-9-11-28-12-10-25/h2-4,13-14,16H,5-12H2,1H3,(H,21,22,23)
InChIKeyFRLGFBFAAWJOIP-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.68
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine

N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 110094133) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
PubChem CID110094133
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC NameN-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCc1cccc(Nc2cncc(C3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)n1
InChIInChI=1S/C19H26N6O3S/c1-15-3-2-4-18(21-15)23-19-14-20-13-17(22-19)16-5-7-24(8-6-16)29(26,27)25-9-11-28-12-10-25/h2-4,13-14,16H,5-12H2,1H3,(H,21,22,23)
InChIKeyFRLGFBFAAWJOIP-UHFFFAOYSA-N
XLogP1.68
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine (CID 110094133) is N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine is Cc1cccc(Nc2cncc(C3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is FRLGFBFAAWJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-15-3-2-4-18(21-15)23-19-14-20-13-17(22-19)16-5-7-24(8-6-16)29(26,27)25-9-11-28-12-10-25/h2-4,13-14,16H,5-12H2,1H3,(H,21,22,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 418.52 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 110094133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).