N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C16H17F3N2O2 — CID 95179199

IUPACN-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc([C@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)c(C)o1
InChIInChI=1S/C16H17F3N2O2/c1-8-7-13(11(4)23-8)10(3)21-15(22)12-5-6-14(16(17,18)19)20-9(12)2/h5-7,10H,1-4H3,(H,21,22)/t10-/m0/s1
InChIKeyHRCANDVNEBHUIN-JTQLQIEISA-N
MW326.32 g/mol
LogP4.11
Rot. Bonds3

About N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 95179199) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID95179199
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc([C@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)c(C)o1
InChIInChI=1S/C16H17F3N2O2/c1-8-7-13(11(4)23-8)10(3)21-15(22)12-5-6-14(16(17,18)19)20-9(12)2/h5-7,10H,1-4H3,(H,21,22)/t10-/m0/s1
InChIKeyHRCANDVNEBHUIN-JTQLQIEISA-N
XLogP4.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 95179199) is N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc([C@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)c(C)o1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HRCANDVNEBHUIN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-8-7-13(11(4)23-8)10(3)21-15(22)12-5-6-14(16(17,18)19)20-9(12)2/h5-7,10H,1-4H3,(H,21,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 95179199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).