2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C20H21F3N4O4 — CID 22405575

IUPAC2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cccc(NC(=O)Nc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C20H21F3N4O4/c1-12(2)16(17(29)20(21,22)23)26-15(28)11-27-10-6-9-14(18(27)30)25-19(31)24-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,26,28)(H2,24,25,31)
InChIKeyQKJBNMMUCDVCMR-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 22405575) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID22405575
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1cccc(NC(=O)Nc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C20H21F3N4O4/c1-12(2)16(17(29)20(21,22)23)26-15(28)11-27-10-6-9-14(18(27)30)25-19(31)24-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,26,28)(H2,24,25,31)
InChIKeyQKJBNMMUCDVCMR-UHFFFAOYSA-N
XLogP2.76
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide
CID 54263297
2-(2,5-dioxopyrrolidin-1-yl)-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 10414749
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
2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
CID 172893896
2-[5-(carbamoylamino)-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 19787919
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
CID 5289460
2-[3-(N-acetyl-4-aminoanilino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide;hydrochloride
CID 67747658
2-(4-nitrophenyl)-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 22405561
(2,5-dioxopyrrolidin-1-yl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 22405483
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
S-methyl N-[2-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyrimidin-5-yl]carbamothioate
CID 10435585

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 22405575) is 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1cccc(NC(=O)Nc2ccccc2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is QKJBNMMUCDVCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-12(2)16(17(29)20(21,22)23)26-15(28)11-27-10-6-9-14(18(27)30)25-19(31)24-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,26,28)(H2,24,25,31).
What are the key properties of 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 438.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 22405575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).