N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H19F3N2O2 — CID 24603270

IUPACN-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H19F3N2O2/c1-13(7-8-14-5-3-2-4-6-14)23-17(24)15-9-10-16(22-11-15)25-12-18(19,20)21/h2-6,9-11,13H,7-8,12H2,1H3,(H,23,24)
InChIKeyOTMLPFZWZFUEBF-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.77
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 24603270) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID24603270
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H19F3N2O2/c1-13(7-8-14-5-3-2-4-6-14)23-17(24)15-9-10-16(22-11-15)25-12-18(19,20)21/h2-6,9-11,13H,7-8,12H2,1H3,(H,23,24)
InChIKeyOTMLPFZWZFUEBF-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42933993
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 26029790
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(benzenecarboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146674404
1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea
CID 3575476
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 24603270) is N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is OTMLPFZWZFUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-13(7-8-14-5-3-2-4-6-14)23-17(24)15-9-10-16(22-11-15)25-12-18(19,20)21/h2-6,9-11,13H,7-8,12H2,1H3,(H,23,24).
What are the key properties of N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24603270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).