2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C18H19F3N2O — CID 75379624

IUPAC2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1
InChIInChI=1S/C18H19F3N2O/c1-13(2)17(24)23(12-16-8-3-4-9-22-16)11-14-6-5-7-15(10-14)18(19,20)21/h3-10,13H,11-12H2,1-2H3
InChIKeyFIDXWMYSENYFSC-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.29
Rot. Bonds5

About 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 75379624) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID75379624
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1
InChIInChI=1S/C18H19F3N2O/c1-13(2)17(24)23(12-16-8-3-4-9-22-16)11-14-6-5-7-15(10-14)18(19,20)21/h3-10,13H,11-12H2,1-2H3
InChIKeyFIDXWMYSENYFSC-UHFFFAOYSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 3455354
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
3-amino-2-methyl-N-[(3-methylphenyl)methyl]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 119878011
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 56788413
3-[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065197
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 20850239
N-[[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93307731
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 75379624) is 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FIDXWMYSENYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-13(2)17(24)23(12-16-8-3-4-9-22-16)11-14-6-5-7-15(10-14)18(19,20)21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 75379624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).