(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

C15H16N4O2 — CID 110196254

IUPAC(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(Oc3cccnc3)C2)cn1
InChIInChI=1S/C15H16N4O2/c1-11-7-18-14(9-17-11)15(20)19-6-4-13(10-19)21-12-3-2-5-16-8-12/h2-3,5,7-9,13H,4,6,10H2,1H3
InChIKeyXPCZISJQVWSNSN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.47
Rot. Bonds3

About (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 110196254) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID110196254
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(Oc3cccnc3)C2)cn1
InChIInChI=1S/C15H16N4O2/c1-11-7-18-14(9-17-11)15(20)19-6-4-13(10-19)21-12-3-2-5-16-8-12/h2-3,5,7-9,13H,4,6,10H2,1H3
InChIKeyXPCZISJQVWSNSN-UHFFFAOYSA-N
XLogP1.47
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.47
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-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (CID 110196254) is (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is Cc1cnc(C(=O)N2CCC(Oc3cccnc3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is XPCZISJQVWSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-7-18-14(9-17-11)15(20)19-6-4-13(10-19)21-12-3-2-5-16-8-12/h2-3,5,7-9,13H,4,6,10H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.47, 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-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 110196254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).