N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C17H17F3N2O2 — CID 134003798

IUPACN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1cccnc1
InChIInChI=1S/C17H17F3N2O2/c1-22(16(23)9-6-13-3-2-10-21-11-13)12-14-4-7-15(8-5-14)24-17(18,19)20/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyNILLXFYUJATZMQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.57
Rot. Bonds6

About N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 134003798) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID134003798
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1cccnc1
InChIInChI=1S/C17H17F3N2O2/c1-22(16(23)9-6-13-3-2-10-21-11-13)12-14-4-7-15(8-5-14)24-17(18,19)20/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyNILLXFYUJATZMQ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120608876
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38545493
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
CID 56540605
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 134003798) is N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is NILLXFYUJATZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-22(16(23)9-6-13-3-2-10-21-11-13)12-14-4-7-15(8-5-14)24-17(18,19)20/h2-5,7-8,10-11H,6,9,12H2,1H3.
What are the key properties of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 338.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 134003798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).