1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one

C18H14F3N3O2 — CID 122517070

IUPAC1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one
SMILESNCc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)24-7-2-1-6-17(24)25/h1-10H,11,22H2
InChIKeyJZSHKZABPPZQLV-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.50
Rot. Bonds4

About 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one

1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one (PubChem CID 122517070) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one
PubChem CID122517070
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one
SMILESNCc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)24-7-2-1-6-17(24)25/h1-10H,11,22H2
InChIKeyJZSHKZABPPZQLV-UHFFFAOYSA-N
XLogP3.50
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-((3-Cyano-4,6-dimethyl-2-pyridinyl)oxy)phenyl)acetamide
CID 714288
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(2-methyl-6-(trifluoromethyl)pyridin-3-yl)acrylamide
CID 10286990
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(6-(trifluoromethyl)pyridin-3-yl)acrylamide
CID 11439510
1-Butyl-4-[4-(2,6-dimethyl-pyridin-4-yloxy)-3-fluoro-phenyl]-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 25002941
US11072585, Example 58
CID 122516817
US11072585, Example 1
CID 122516837
US11072585, Example 118
CID 122516846
US11072585, Example 2
CID 122516878
US11072585, Example 43
CID 122516913
US11072585, Example 67
CID 122516915
US11072585, Example 65
CID 122517047
US11072585, Example 42
CID 122536430

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one?
The IUPAC name of 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one (CID 122517070) is 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one is NCc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one?
The InChIKey is JZSHKZABPPZQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)24-7-2-1-6-17(24)25/h1-10H,11,22H2.
What are the key properties of 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one?
1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one has a molecular weight of 361.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-one is sourced from PubChem (CID 122517070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).