(2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H15F3N4O — CID 97064212

IUPAC(2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1cnccn1
InChIInChI=1S/C11H15F3N4O/c1-8(10(19)17-7-11(12,13)14)18(2)6-9-5-15-3-4-16-9/h3-5,8H,6-7H2,1-2H3,(H,17,19)/t8-/m0/s1
InChIKeyCNMIOFUHAZIUFF-QMMMGPOBSA-N
MW276.26 g/mol
LogP0.98
Rot. Bonds5

About (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 97064212) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID97064212
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1cnccn1
InChIInChI=1S/C11H15F3N4O/c1-8(10(19)17-7-11(12,13)14)18(2)6-9-5-15-3-4-16-9/h3-5,8H,6-7H2,1-2H3,(H,17,19)/t8-/m0/s1
InChIKeyCNMIOFUHAZIUFF-QMMMGPOBSA-N
XLogP0.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785193
n-(Pyrazin-2-ylmethyl)acetamide
CID 292281
N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 21578232
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazine-2-carboxamide
CID 45823630
N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 164629795
(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one
CID 164631562
N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 49074761
Acetamide, 2,2,2-trifluoro-N-(2-pyrazinylmethyl)-
CID 57518396
CID 59369568
CID 59369568
CID 59369587
CID 59369587
2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64592057
N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 68202584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 97064212) is (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1cnccn1.
What is the InChIKey of (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CNMIOFUHAZIUFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-8(10(19)17-7-11(12,13)14)18(2)6-9-5-15-3-4-16-9/h3-5,8H,6-7H2,1-2H3,(H,17,19)/t8-/m0/s1.
What are the key properties of (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 276.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 97064212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).