(2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

C12H16F3N3O2 — CID 119399135

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)8(16)10(20)18-7-4-6(12(13,14)15)5-17-9(7)19/h4-5,8H,16H2,1-3H3,(H,17,19)(H,18,20)/t8-/m1/s1
InChIKeyYTNFXXJPDBSPRY-MRVPVSSYSA-N
MW291.27 g/mol
LogP1.71
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 119399135) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
PubChem CID119399135
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)8(16)10(20)18-7-4-6(12(13,14)15)5-17-9(7)19/h4-5,8H,16H2,1-3H3,(H,17,19)(H,18,20)/t8-/m1/s1
InChIKeyYTNFXXJPDBSPRY-MRVPVSSYSA-N
XLogP1.71
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 119399135) is (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is CC(C)(C)[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The InChIKey is YTNFXXJPDBSPRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-11(2,3)8(16)10(20)18-7-4-6(12(13,14)15)5-17-9(7)19/h4-5,8H,16H2,1-3H3,(H,17,19)(H,18,20)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 291.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 119399135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).