2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide

C21H24F3N3O3 — CID 70045107

IUPAC2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(N)c1=O)C(=O)CC(F)(F)F
InChIInChI=1S/C21H24F3N3O3/c1-13(2)19(17(28)10-21(22,23)24)26-18(29)12-27-11-15(9-16(25)20(27)30)8-14-6-4-3-5-7-14/h3-7,9,11,13,19H,8,10,12,25H2,1-2H3,(H,26,29)
InChIKeyYIIWLCKMIQSZCY-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.68
Rot. Bonds8

About 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide

2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide (PubChem CID 70045107) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide
PubChem CID70045107
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(N)c1=O)C(=O)CC(F)(F)F
InChIInChI=1S/C21H24F3N3O3/c1-13(2)19(17(28)10-21(22,23)24)26-18(29)12-27-11-15(9-16(25)20(27)30)8-14-6-4-3-5-7-14/h3-7,9,11,13,19H,8,10,12,25H2,1-2H3,(H,26,29)
InChIKeyYIIWLCKMIQSZCY-UHFFFAOYSA-N
XLogP2.68
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide with MolForge

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Related Compounds

[4-[[6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-5-(phenylmethoxycarbonylamino)-3-pyridinyl]methyl]phenyl] 2,2-dimethylpropanoate
CID 10394405
5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
CID 59105021
2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 22405575
2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanamide
CID 106343702
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848214
N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
CID 22405599
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
CID 74587709
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide (CID 70045107) is 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide is CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(N)c1=O)C(=O)CC(F)(F)F.
What is the InChIKey of 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide?
The InChIKey is YIIWLCKMIQSZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-13(2)19(17(28)10-21(22,23)24)26-18(29)12-27-11-15(9-16(25)20(27)30)8-14-6-4-3-5-7-14/h3-7,9,11,13,19H,8,10,12,25H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide?
2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide has a molecular weight of 423.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-benzyl-2-oxo-1-pyridinyl)-N-(6,6,6-trifluoro-2-methyl-4-oxohexan-3-yl)acetamide is sourced from PubChem (CID 70045107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).