3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one

C17H17F3N2O2 — CID 72557491

IUPAC3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
SMILESCNC(Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1)C(C)=O
InChIInChI=1S/C17H17F3N2O2/c1-11(23)16(21-2)9-12-3-8-15(22-10-12)13-4-6-14(7-5-13)24-17(18,19)20/h3-8,10,16,21H,9H2,1-2H3
InChIKeyVDJSJASIKLLBGX-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.37
Rot. Bonds6

About 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one

3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one (PubChem CID 72557491) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one.

Molecular Properties

Compound Name3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
PubChem CID72557491
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
SMILESCNC(Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1)C(C)=O
InChIInChI=1S/C17H17F3N2O2/c1-11(23)16(21-2)9-12-3-8-15(22-10-12)13-4-6-14(7-5-13)24-17(18,19)20/h3-8,10,16,21H,9H2,1-2H3
InChIKeyVDJSJASIKLLBGX-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
CID 59772249
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 175646893
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
1-[[3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014582
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(trifluoromethoxy)benzoate
CID 8661680
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
2-(methanesulfonamido)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 146137220
1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 146736045
2-[[4-hydroxy-6-oxo-1-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177187
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one?
The IUPAC name of 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one (CID 72557491) is 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one.
What is the SMILES notation for 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one?
The canonical SMILES for 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one is CNC(Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1)C(C)=O.
What is the InChIKey of 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one?
The InChIKey is VDJSJASIKLLBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11(23)16(21-2)9-12-3-8-15(22-10-12)13-4-6-14(7-5-13)24-17(18,19)20/h3-8,10,16,21H,9H2,1-2H3.
What are the key properties of 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one?
3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one has a molecular weight of 338.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one is sourced from PubChem (CID 72557491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).