3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C20H24F3N5O2 — CID 70685427

IUPAC3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2cccc(OC(F)(F)F)c2)cnc1N)C1CCNCC1
InChIInChI=1S/C20H24F3N5O2/c1-19(2,13-6-8-25-9-7-13)28-18(29)16-17(24)26-11-15(27-16)12-4-3-5-14(10-12)30-20(21,22)23/h3-5,10-11,13,25H,6-9H2,1-2H3,(H2,24,26)(H,28,29)
InChIKeyXFAKIHUDRAQWGV-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 70685427) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID70685427
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2cccc(OC(F)(F)F)c2)cnc1N)C1CCNCC1
InChIInChI=1S/C20H24F3N5O2/c1-19(2,13-6-8-25-9-7-13)28-18(29)16-17(24)26-11-15(27-16)12-4-3-5-14(10-12)30-20(21,22)23/h3-5,10-11,13,25H,6-9H2,1-2H3,(H2,24,26)(H,28,29)
InChIKeyXFAKIHUDRAQWGV-UHFFFAOYSA-N
XLogP3.13
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 70685427) is 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is CC(C)(NC(=O)c1nc(-c2cccc(OC(F)(F)F)c2)cnc1N)C1CCNCC1.
What is the InChIKey of 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is XFAKIHUDRAQWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-19(2,13-6-8-25-9-7-13)28-18(29)16-17(24)26-11-15(27-16)12-4-3-5-14(10-12)30-20(21,22)23/h3-5,10-11,13,25H,6-9H2,1-2H3,(H2,24,26)(H,28,29).
What are the key properties of 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-piperidin-4-ylpropan-2-yl)-6-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70685427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).