3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide

C17H18F3N3O2 — CID 120503762

IUPAC3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H18F3N3O2/c1-10(11(2)21)16(24)23-13-5-8-15(22-9-13)25-14-6-3-12(4-7-14)17(18,19)20/h3-11H,21H2,1-2H3,(H,23,24)
InChIKeyCFQOXDMARDQHAO-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.81
Rot. Bonds5

About 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide

3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide (PubChem CID 120503762) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
PubChem CID120503762
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H18F3N3O2/c1-10(11(2)21)16(24)23-13-5-8-15(22-9-13)25-14-6-3-12(4-7-14)17(18,19)20/h3-11H,21H2,1-2H3,(H,23,24)
InChIKeyCFQOXDMARDQHAO-UHFFFAOYSA-N
XLogP3.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
(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
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide (CID 120503762) is 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide is CC(N)C(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide?
The InChIKey is CFQOXDMARDQHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10(11(2)21)16(24)23-13-5-8-15(22-9-13)25-14-6-3-12(4-7-14)17(18,19)20/h3-11H,21H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide?
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide has a molecular weight of 353.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide is sourced from PubChem (CID 120503762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).