[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone

C17H21N5O2 — CID 87052996

IUPAC[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C17H21N5O2/c1-2-24-16-15(19-9-10-20-16)21-13-6-11-22(12-7-13)17(23)14-5-3-4-8-18-14/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(H,19,21)
InChIKeyRSXGOQPPUTXNSF-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.99
Rot. Bonds5

About [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 87052996) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID87052996
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C17H21N5O2/c1-2-24-16-15(19-9-10-20-16)21-13-6-11-22(12-7-13)17(23)14-5-3-4-8-18-14/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(H,19,21)
InChIKeyRSXGOQPPUTXNSF-UHFFFAOYSA-N
XLogP1.99
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone (CID 87052996) is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone is CCOc1nccnc1NC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is RSXGOQPPUTXNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-24-16-15(19-9-10-20-16)21-13-6-11-22(12-7-13)17(23)14-5-3-4-8-18-14/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(H,19,21).
What are the key properties of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 87052996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).