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

C19H19N5O — CID 146476165

IUPAC[3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C19H19N5O/c20-18-7-5-14(11-22-18)17-12-21-15-6-4-13(10-16(15)23-17)19(25)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H2,20,22)
InChIKeyVMLNVXHRWXJURK-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.90
Rot. Bonds2

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

[3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 146476165) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID146476165
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C19H19N5O/c20-18-7-5-14(11-22-18)17-12-21-15-6-4-13(10-16(15)23-17)19(25)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H2,20,22)
InChIKeyVMLNVXHRWXJURK-UHFFFAOYSA-N
XLogP2.90
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 146476165) is [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is Nc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is VMLNVXHRWXJURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-18-7-5-14(11-22-18)17-12-21-15-6-4-13(10-16(15)23-17)19(25)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H2,20,22).
What are the key properties of [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 333.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146476165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).