2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide

C21H19F6N3O4 — CID 10323328

IUPAC2,2,2-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
SMILESCC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)C(F)(F)F)C2=CC=CC=C2
InChIInChI=1S/C21H19F6N3O4/c1-11(2)16(17(32)20(22,23)24)29-15(31)10-30-14(12-6-4-3-5-7-12)9-8-13(18(30)33)28-19(34)21(25,26)27/h3-9,11,16H,10H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyHQOLYAHAXMEHSL-UHFFFAOYSA-N
MW491.40 g/mol
LogP4.10
Rot. Bonds7

About 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide

2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide (PubChem CID 10323328) has the molecular formula C21H19F6N3O4 and a molecular weight of 491.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide
PubChem CID10323328
Molecular FormulaC21H19F6N3O4
Molecular Weight491.40 g/mol
Exact Mass491.13
IUPAC Name2,2,2-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
SMILESCC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)C(F)(F)F)C2=CC=CC=C2
InChIInChI=1S/C21H19F6N3O4/c1-11(2)16(17(32)20(22,23)24)29-15(31)10-30-14(12-6-4-3-5-7-12)9-8-13(18(30)33)28-19(34)21(25,26)27/h3-9,11,16H,10H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyHQOLYAHAXMEHSL-UHFFFAOYSA-N
XLogP4.10
TPSA95.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity886

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide?
The IUPAC name of 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide (CID 10323328) is 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.
What is the SMILES notation for 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide?
The canonical SMILES for 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide is CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)C(F)(F)F)C2=CC=CC=C2.
What is the InChIKey of 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide?
The InChIKey is HQOLYAHAXMEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6N3O4/c1-11(2)16(17(32)20(22,23)24)29-15(31)10-30-14(12-6-4-3-5-7-12)9-8-13(18(30)33)28-19(34)21(25,26)27/h3-9,11,16H,10H2,1-2H3,(H,28,34)(H,29,31).
What are the key properties of 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide?
2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide has a molecular weight of 491.40 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide is sourced from PubChem (CID 10323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).