[3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone

C20H21N5O — CID 135300439

IUPAC[3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C20H21N5O/c1-21-19-8-6-15(12-23-19)18-13-22-16-7-5-14(11-17(16)24-18)20(26)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,23)
InChIKeyKWCURVRHRKQEDF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.36
Rot. Bonds3

About [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300439) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300439
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C20H21N5O/c1-21-19-8-6-15(12-23-19)18-13-22-16-7-5-14(11-17(16)24-18)20(26)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,23)
InChIKeyKWCURVRHRKQEDF-UHFFFAOYSA-N
XLogP3.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300439) is [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone is CNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is KWCURVRHRKQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-21-19-8-6-15(12-23-19)18-13-22-16-7-5-14(11-17(16)24-18)20(26)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,23).
What are the key properties of [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).