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

C20H13F6N3O2 — CID 71502345

IUPAC6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C20H13F6N3O2/c21-19(22,23)13-6-3-11(4-7-13)16(17-14(20(24,25)26)2-1-9-27-17)29-18(31)12-5-8-15(30)28-10-12/h1-10,16H,(H,28,30)(H,29,31)/t16-/m0/s1
InChIKeyFHDVDXXLSCUTNI-INIZCTEOSA-N
MW441.33 g/mol
LogP4.33
Rot. Bonds4

About 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 71502345) has the molecular formula C20H13F6N3O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID71502345
Molecular FormulaC20H13F6N3O2
Molecular Weight441.33 g/mol
Exact Mass441.09
IUPAC Name6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C20H13F6N3O2/c21-19(22,23)13-6-3-11(4-7-13)16(17-14(20(24,25)26)2-1-9-27-17)29-18(31)12-5-8-15(30)28-10-12/h1-10,16H,(H,28,30)(H,29,31)/t16-/m0/s1
InChIKeyFHDVDXXLSCUTNI-INIZCTEOSA-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 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide (CID 71502345) is 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide is O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is FHDVDXXLSCUTNI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H13F6N3O2/c21-19(22,23)13-6-3-11(4-7-13)16(17-14(20(24,25)26)2-1-9-27-17)29-18(31)12-5-8-15(30)28-10-12/h1-10,16H,(H,28,30)(H,29,31)/t16-/m0/s1.
What are the key properties of 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-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 6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71502345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).