(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide

C19H21F3N4O3 — CID 46864692

IUPAC(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCOCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C19H21F3N4O3/c1-12-2-3-16(24-9-12)25-18(28)14(8-13-4-6-29-7-5-13)26-11-15(19(20,21)22)23-10-17(26)27/h2-3,9-11,13-14H,4-8H2,1H3,(H,24,25,28)/t14-/m0/s1
InChIKeyTWJTZYGTRUHSEW-AWEZNQCLSA-N
MW410.40 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide

(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide (PubChem CID 46864692) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide
PubChem CID46864692
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCOCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C19H21F3N4O3/c1-12-2-3-16(24-9-12)25-18(28)14(8-13-4-6-29-7-5-13)26-11-15(19(20,21)22)23-10-17(26)27/h2-3,9-11,13-14H,4-8H2,1H3,(H,24,25,28)/t14-/m0/s1
InChIKeyTWJTZYGTRUHSEW-AWEZNQCLSA-N
XLogP2.96
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 46181747
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44628875
3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 67314173
3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid
CID 68750730
methyl (2S)-3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoate
CID 59411175
(2S)-3-cyclopentyl-N-[5-(hydroxymethyl)-2-pyridinyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44629218
N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
CID 135232757
4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
CID 58284077
N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 75164856
6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]-2-methylpyridine-3-carboxylic acid
CID 71080363
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide (CID 46864692) is (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide is Cc1ccc(NC(=O)[C@H](CC2CCOCC2)n2cc(C(F)(F)F)ncc2=O)nc1.
What is the InChIKey of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide?
The InChIKey is TWJTZYGTRUHSEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-12-2-3-16(24-9-12)25-18(28)14(8-13-4-6-29-7-5-13)26-11-15(19(20,21)22)23-10-17(26)27/h2-3,9-11,13-14H,4-8H2,1H3,(H,24,25,28)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide?
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide has a molecular weight of 410.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide is sourced from PubChem (CID 46864692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).