(2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide

C12H16F3N3O2 — CID 119399157

IUPAC(2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O2/c1-6(2)3-8(16)10(19)18-9-4-7(12(13,14)15)5-17-11(9)20/h4-6,8H,3,16H2,1-2H3,(H,17,20)(H,18,19)/t8-/m0/s1
InChIKeyCRBYZXBYQYOVCU-QMMMGPOBSA-N
MW291.27 g/mol
LogP1.71
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide

(2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide (PubChem CID 119399157) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide
PubChem CID119399157
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O2/c1-6(2)3-8(16)10(19)18-9-4-7(12(13,14)15)5-17-11(9)20/h4-6,8H,3,16H2,1-2H3,(H,17,20)(H,18,19)/t8-/m0/s1
InChIKeyCRBYZXBYQYOVCU-QMMMGPOBSA-N
XLogP1.71
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10426076
1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide
CID 72046367
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 72050188
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53550143
N'-(cyclopentylmethyl)-N'-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53613259
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 72046366
4-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 72046369
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide (CID 119399157) is (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide 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-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
The InChIKey is CRBYZXBYQYOVCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-6(2)3-8(16)10(19)18-9-4-7(12(13,14)15)5-17-11(9)20/h4-6,8H,3,16H2,1-2H3,(H,17,20)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide has a molecular weight of 291.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide is sourced from PubChem (CID 119399157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).