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

C12H16F3N3O2 — CID 119399145

IUPAC2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O2/c1-3-6(2)9(16)11(20)18-8-4-7(12(13,14)15)5-17-10(8)19/h4-6,9H,3,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHMNJCQFNLYTDHX-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.71
Rot. Bonds4

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

2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide (PubChem CID 119399145) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide
PubChem CID119399145
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O2/c1-3-6(2)9(16)11(20)18-8-4-7(12(13,14)15)5-17-10(8)19/h4-6,9H,3,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHMNJCQFNLYTDHX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide (CID 119399145) is 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide is CCC(C)C(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
The InChIKey is HMNJCQFNLYTDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-6(2)9(16)11(20)18-8-4-7(12(13,14)15)5-17-10(8)19/h4-6,9H,3,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide?
2-amino-3-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 2-amino-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pentanamide is sourced from PubChem (CID 119399145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).