5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C13H16F3N3O2 — CID 71856740

IUPAC5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CC(F)(F)F)C2CCCOC2)cn1
InChIInChI=1S/C13H16F3N3O2/c1-9-5-18-11(6-17-9)12(20)19(8-13(14,15)16)10-3-2-4-21-7-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyJOLSLTLZKRFJOH-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 71856740) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID71856740
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CC(F)(F)F)C2CCCOC2)cn1
InChIInChI=1S/C13H16F3N3O2/c1-9-5-18-11(6-17-9)12(20)19(8-13(14,15)16)10-3-2-4-21-7-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyJOLSLTLZKRFJOH-UHFFFAOYSA-N
XLogP1.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 71856740) is 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CC(F)(F)F)C2CCCOC2)cn1.
What is the InChIKey of 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The InChIKey is JOLSLTLZKRFJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-9-5-18-11(6-17-9)12(20)19(8-13(14,15)16)10-3-2-4-21-7-10/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71856740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).