2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C21H18F3N3O3 — CID 47074838

IUPAC2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)13-30-12-15-6-4-14(5-7-15)11-26-19(28)16-8-9-18(27-20(16)29)17-3-1-2-10-25-17/h1-10H,11-13H2,(H,26,28)(H,27,29)
InChIKeyTXPWAMVAIYRVCG-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.45
Rot. Bonds7

About 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 47074838) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID47074838
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)13-30-12-15-6-4-14(5-7-15)11-26-19(28)16-8-9-18(27-20(16)29)17-3-1-2-10-25-17/h1-10H,11-13H2,(H,26,28)(H,27,29)
InChIKeyTXPWAMVAIYRVCG-UHFFFAOYSA-N
XLogP3.45
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 47074838) is 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is TXPWAMVAIYRVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c22-21(23,24)13-30-12-15-6-4-14(5-7-15)11-26-19(28)16-8-9-18(27-20(16)29)17-3-1-2-10-25-17/h1-10H,11-13H2,(H,26,28)(H,27,29).
What are the key properties of 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47074838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).