(2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide

C11H14ClF3N4O — CID 89405087

IUPAC(2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(C)[C@@H](NCC(F)(F)F)C(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C11H14ClF3N4O/c1-6(2)9(17-5-11(13,14)15)10(20)19-8-4-16-3-7(12)18-8/h3-4,6,9,17H,5H2,1-2H3,(H,18,19,20)/t9-/m1/s1
InChIKeyPGRMFKHMFIHJOC-SECBINFHSA-N
MW310.71 g/mol
LogP2.24
Rot. Bonds5

About (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide

(2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 89405087) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
PubChem CID89405087
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name(2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(C)[C@@H](NCC(F)(F)F)C(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C11H14ClF3N4O/c1-6(2)9(17-5-11(13,14)15)10(20)19-8-4-16-3-7(12)18-8/h3-4,6,9,17H,5H2,1-2H3,(H,18,19,20)/t9-/m1/s1
InChIKeyPGRMFKHMFIHJOC-SECBINFHSA-N
XLogP2.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide (CID 89405087) is (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide is CC(C)[C@@H](NCC(F)(F)F)C(=O)Nc1cncc(Cl)n1.
What is the InChIKey of (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is PGRMFKHMFIHJOC-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-6(2)9(17-5-11(13,14)15)10(20)19-8-4-16-3-7(12)18-8/h3-4,6,9,17H,5H2,1-2H3,(H,18,19,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
(2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 310.71 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-chloropyrazin-2-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 89405087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).