(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C18H20N4O2 — CID 119103729

IUPAC(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1cnc(C(=O)N2C3CCC2CC(Oc2cccnc2)C3)cn1
InChIInChI=1S/C18H20N4O2/c1-12-9-21-17(11-20-12)18(23)22-13-4-5-14(22)8-16(7-13)24-15-3-2-6-19-10-15/h2-3,6,9-11,13-14,16H,4-5,7-8H2,1H3
InChIKeyOQFJFNVJGUUGQO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.39
Rot. Bonds3

About (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 119103729) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID119103729
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1cnc(C(=O)N2C3CCC2CC(Oc2cccnc2)C3)cn1
InChIInChI=1S/C18H20N4O2/c1-12-9-21-17(11-20-12)18(23)22-13-4-5-14(22)8-16(7-13)24-15-3-2-6-19-10-15/h2-3,6,9-11,13-14,16H,4-5,7-8H2,1H3
InChIKeyOQFJFNVJGUUGQO-UHFFFAOYSA-N
XLogP2.39
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 119103729) is (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Cc1cnc(C(=O)N2C3CCC2CC(Oc2cccnc2)C3)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is OQFJFNVJGUUGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-9-21-17(11-20-12)18(23)22-13-4-5-14(22)8-16(7-13)24-15-3-2-6-19-10-15/h2-3,6,9-11,13-14,16H,4-5,7-8H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 119103729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).