1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

C17H21N5O — CID 95821987

IUPAC1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2Nc2cccc(C)n2)CC1
InChIInChI=1S/C17H21N5O/c1-12-4-3-5-15(20-12)21-17-16(18-8-9-19-17)14-6-10-22(11-7-14)13(2)23/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyQPFUIVSXAASUQU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95821987) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95821987
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2Nc2cccc(C)n2)CC1
InChIInChI=1S/C17H21N5O/c1-12-4-3-5-15(20-12)21-17-16(18-8-9-19-17)14-6-10-22(11-7-14)13(2)23/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyQPFUIVSXAASUQU-UHFFFAOYSA-N
XLogP2.65
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95821987) is 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2Nc2cccc(C)n2)CC1.
What is the InChIKey of 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is QPFUIVSXAASUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-4-3-5-15(20-12)21-17-16(18-8-9-19-17)14-6-10-22(11-7-14)13(2)23/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 311.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).