4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide

C20H13F6N3O2 — CID 89310512

IUPAC4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1cc(=O)cc[nH]1
InChIInChI=1S/C20H13F6N3O2/c21-19(22,23)12-5-3-11(4-6-12)16(17-14(20(24,25)26)2-1-8-28-17)29-18(31)15-10-13(30)7-9-27-15/h1-10,16H,(H,27,30)(H,29,31)
InChIKeyDKJLSOMIKDSXNQ-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.33
Rot. Bonds4

About 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide

4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide (PubChem CID 89310512) has the molecular formula C20H13F6N3O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide
PubChem CID89310512
Molecular FormulaC20H13F6N3O2
Molecular Weight441.33 g/mol
Exact Mass441.09
IUPAC Name4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1cc(=O)cc[nH]1
InChIInChI=1S/C20H13F6N3O2/c21-19(22,23)12-5-3-11(4-6-12)16(17-14(20(24,25)26)2-1-8-28-17)29-18(31)15-10-13(30)7-9-27-15/h1-10,16H,(H,27,30)(H,29,31)
InChIKeyDKJLSOMIKDSXNQ-UHFFFAOYSA-N
XLogP4.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide (CID 89310512) is 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide is O=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1cc(=O)cc[nH]1.
What is the InChIKey of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide?
The InChIKey is DKJLSOMIKDSXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O2/c21-19(22,23)12-5-3-11(4-6-12)16(17-14(20(24,25)26)2-1-8-28-17)29-18(31)15-10-13(30)7-9-27-15/h1-10,16H,(H,27,30)(H,29,31).
What are the key properties of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide?
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 89310512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).