N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H17F3N2O2 — CID 44775773

IUPACN-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-22(11-9-13-6-3-2-4-7-13)16(23)14-8-5-10-21-15(14)24-12-17(18,19)20/h2-8,10H,9,11-12H2,1H3
InChIKeyOPGPRNNXAYRMOW-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.34
Rot. Bonds6

About N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 44775773) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID44775773
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-22(11-9-13-6-3-2-4-7-13)16(23)14-8-5-10-21-15(14)24-12-17(18,19)20/h2-8,10H,9,11-12H2,1H3
InChIKeyOPGPRNNXAYRMOW-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 99697580
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31963518
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
methyl 2-methyl-5-[[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]furan-3-carboxylate
CID 31966993
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 121427075
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 44775773) is N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN(CCc1ccccc1)C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is OPGPRNNXAYRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-22(11-9-13-6-3-2-4-7-13)16(23)14-8-5-10-21-15(14)24-12-17(18,19)20/h2-8,10H,9,11-12H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 44775773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).