1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C16H19N5O — CID 95821995

IUPAC1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C16H19N5O/c1-12(22)21-10-5-13(6-11-21)15-16(19-9-8-18-15)20-14-4-2-3-7-17-14/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,17,19,20)
InChIKeyWFHDSLPGGSZQED-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.34
Rot. Bonds3

About 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95821995) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95821995
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C16H19N5O/c1-12(22)21-10-5-13(6-11-21)15-16(19-9-8-18-15)20-14-4-2-3-7-17-14/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,17,19,20)
InChIKeyWFHDSLPGGSZQED-UHFFFAOYSA-N
XLogP2.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95821995) is 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1.
What is the InChIKey of 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is WFHDSLPGGSZQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)21-10-5-13(6-11-21)15-16(19-9-8-18-15)20-14-4-2-3-7-17-14/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,17,19,20).
What are the key properties of 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).