3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine

C15H20N6 — CID 129388311

IUPAC3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine
SMILESCN1CCC[C@@H](Nc2nc(-c3ccncc3)cnc2N)C1
InChIInChI=1S/C15H20N6/c1-21-8-2-3-12(10-21)19-15-14(16)18-9-13(20-15)11-4-6-17-7-5-11/h4-7,9,12H,2-3,8,10H2,1H3,(H2,16,18)(H,19,20)/t12-/m1/s1
InChIKeyXQKFTPLOQNJJNE-GFCCVEGCSA-N
MW284.37 g/mol
LogP1.63
Rot. Bonds3

About 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine

3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine (PubChem CID 129388311) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine
PubChem CID129388311
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine
SMILESCN1CCC[C@@H](Nc2nc(-c3ccncc3)cnc2N)C1
InChIInChI=1S/C15H20N6/c1-21-8-2-3-12(10-21)19-15-14(16)18-9-13(20-15)11-4-6-17-7-5-11/h4-7,9,12H,2-3,8,10H2,1H3,(H2,16,18)(H,19,20)/t12-/m1/s1
InChIKeyXQKFTPLOQNJJNE-GFCCVEGCSA-N
XLogP1.63
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine?
The IUPAC name of 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine (CID 129388311) is 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine is CN1CCC[C@@H](Nc2nc(-c3ccncc3)cnc2N)C1.
What is the InChIKey of 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine?
The InChIKey is XQKFTPLOQNJJNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6/c1-21-8-2-3-12(10-21)19-15-14(16)18-9-13(20-15)11-4-6-17-7-5-11/h4-7,9,12H,2-3,8,10H2,1H3,(H2,16,18)(H,19,20)/t12-/m1/s1.
What are the key properties of 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine?
3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine has a molecular weight of 284.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine is sourced from PubChem (CID 129388311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).