2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide

C16H15F3N2O2 — CID 71415618

IUPAC2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N2O2/c1-10(2)15(22)21-14-8-4-7-13(20-14)11-5-3-6-12(9-11)23-16(17,18)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyRDBVVOQEYBWQJH-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.24
Rot. Bonds4

About 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide

2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide (PubChem CID 71415618) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
PubChem CID71415618
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N2O2/c1-10(2)15(22)21-14-8-4-7-13(20-14)11-5-3-6-12(9-11)23-16(17,18)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyRDBVVOQEYBWQJH-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
CID 118814623
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
2,2-difluoro-N-(6-naphthalen-2-yl-2-pyridinyl)acetamide
CID 154807933
3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 133089391
6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118854616
3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
CID 178030034
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
CID 22048751
2-amino-3-methyl-N-(6-phenyl-2-pyridinyl)butanamide
CID 110481515
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide (CID 71415618) is 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide is CC(C)C(=O)Nc1cccc(-c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide?
The InChIKey is RDBVVOQEYBWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10(2)15(22)21-14-8-4-7-13(20-14)11-5-3-6-12(9-11)23-16(17,18)19/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide?
2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide has a molecular weight of 324.30 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 71415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).