2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide

C17H18F3N3O2 — CID 119878544

IUPAC2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H18F3N3O2/c1-11(9-21-2)16(24)23-13-5-8-15(22-10-13)25-14-6-3-12(4-7-14)17(18,19)20/h3-8,10-11,21H,9H2,1-2H3,(H,23,24)
InChIKeyIKWJJGQZTRCIBU-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.69
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide

2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide (PubChem CID 119878544) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
PubChem CID119878544
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H18F3N3O2/c1-11(9-21-2)16(24)23-13-5-8-15(22-10-13)25-14-6-3-12(4-7-14)17(18,19)20/h3-8,10-11,21H,9H2,1-2H3,(H,23,24)
InChIKeyIKWJJGQZTRCIBU-UHFFFAOYSA-N
XLogP3.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide (CID 119878544) is 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide is CNCC(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
The InChIKey is IKWJJGQZTRCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11(9-21-2)16(24)23-13-5-8-15(22-10-13)25-14-6-3-12(4-7-14)17(18,19)20/h3-8,10-11,21H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide has a molecular weight of 353.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide is sourced from PubChem (CID 119878544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).