2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C21H24F3N3O3 — CID 10093766

IUPAC2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C21H24F3N3O3/c1-4-25-15-10-11-16(14-8-6-5-7-9-14)27(20(15)30)12-17(28)26-18(13(2)3)19(29)21(22,23)24/h5-11,13,18,25H,4,12H2,1-3H3,(H,26,28)
InChIKeySQQPXGCSMFXZSY-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.22
Rot. Bonds8

About 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10093766) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10093766
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C21H24F3N3O3/c1-4-25-15-10-11-16(14-8-6-5-7-9-14)27(20(15)30)12-17(28)26-18(13(2)3)19(29)21(22,23)24/h5-11,13,18,25H,4,12H2,1-3H3,(H,26,28)
InChIKeySQQPXGCSMFXZSY-UHFFFAOYSA-N
XLogP3.22
TPSA80.20 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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tentoxin
CID 5281143
(2S)-2-{[(1S)-1-(4-benzoylphenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 23648305
Ksp-IA
CID 24901494
2-[3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10257948
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamide
CID 23648299
N-3-trifluoromethylbenzoyl-L-leucine-glycine nitrile (35)
CID 127054405
3-(Benzylamino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 454349
2(1H)-Pyridinone, 5-ethyl-3-(((2-fluorophenyl)methyl)amino)-6-methyl-
CID 454353
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-methylphenyl)methyl)amino)-
CID 454356
2(1H)-Pyridinone, 5-ethyl-3-(((2-ethylphenyl)methyl)amino)-6-methyl-
CID 454358
Ac-N(Bn)Gly-Val-Pro-Val-CF3
CID 73351831
N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 2097244

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10093766) is 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is SQQPXGCSMFXZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-4-25-15-10-11-16(14-8-6-5-7-9-14)27(20(15)30)12-17(28)26-18(13(2)3)19(29)21(22,23)24/h5-11,13,18,25H,4,12H2,1-3H3,(H,26,28).
What are the key properties of 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 423.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10093766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).