2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide

C15H22N6O — CID 133291121

IUPAC2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2cnc(C#N)cn2)CC1
InChIInChI=1S/C15H22N6O/c1-2-5-17-15(22)11-21-6-3-12(4-7-21)20-14-10-18-13(8-16)9-19-14/h9-10,12H,2-7,11H2,1H3,(H,17,22)(H,19,20)
InChIKeyBCMJDSLWGFGMMU-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.75
Rot. Bonds6

About 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide

2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 133291121) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
PubChem CID133291121
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2cnc(C#N)cn2)CC1
InChIInChI=1S/C15H22N6O/c1-2-5-17-15(22)11-21-6-3-12(4-7-21)20-14-10-18-13(8-16)9-19-14/h9-10,12H,2-7,11H2,1H3,(H,17,22)(H,19,20)
InChIKeyBCMJDSLWGFGMMU-UHFFFAOYSA-N
XLogP0.75
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide (CID 133291121) is 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(Nc2cnc(C#N)cn2)CC1.
What is the InChIKey of 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is BCMJDSLWGFGMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-5-17-15(22)11-21-6-3-12(4-7-21)20-14-10-18-13(8-16)9-19-14/h9-10,12H,2-7,11H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 302.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyanopyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 133291121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).