6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C15H13F3N2O — CID 68854365

IUPAC6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(CCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-12(14(19)21)9-8-11(20-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21)
InChIKeySAQBEKAACVDEJA-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.98
Rot. Bonds4

About 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide

6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 68854365) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID68854365
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(CCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-12(14(19)21)9-8-11(20-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21)
InChIKeySAQBEKAACVDEJA-UHFFFAOYSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 68854365) is 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(CCc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SAQBEKAACVDEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13-12(14(19)21)9-8-11(20-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21).
What are the key properties of 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 68854365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).