(2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C9H10ClF3N4O — CID 148921352

IUPAC(2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Nc1cncc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(8(18)15-4-9(11,12)13)16-7-3-14-2-6(10)17-7/h2-3,5H,4H2,1H3,(H,15,18)(H,16,17)/t5-/m1/s1
InChIKeyBNGIIDTXMSHTKS-RXMQYKEDSA-N
MW282.65 g/mol
LogP1.61
Rot. Bonds4

About (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 148921352) has the molecular formula C9H10ClF3N4O and a molecular weight of 282.65 g/mol. Its IUPAC name is (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID148921352
Molecular FormulaC9H10ClF3N4O
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC Name(2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Nc1cncc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(8(18)15-4-9(11,12)13)16-7-3-14-2-6(10)17-7/h2-3,5H,4H2,1H3,(H,15,18)(H,16,17)/t5-/m1/s1
InChIKeyBNGIIDTXMSHTKS-RXMQYKEDSA-N
XLogP1.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 148921352) is (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](Nc1cncc(Cl)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BNGIIDTXMSHTKS-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClF3N4O/c1-5(8(18)15-4-9(11,12)13)16-7-3-14-2-6(10)17-7/h2-3,5H,4H2,1H3,(H,15,18)(H,16,17)/t5-/m1/s1.
What are the key properties of (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.65 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloropyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 148921352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).