2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide

C15H14F3N3O2 — CID 68660883

IUPAC2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C15H14F3N3O2/c1-19-13(23)8-21-14-12(22)6-10(7-20-14)9-3-2-4-11(5-9)15(16,17)18/h2-7,22H,8H2,1H3,(H,19,23)(H,20,21)
InChIKeyCKYDQCQGGQEKQA-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.63
Rot. Bonds4

About 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide

2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide (PubChem CID 68660883) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide
PubChem CID68660883
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C15H14F3N3O2/c1-19-13(23)8-21-14-12(22)6-10(7-20-14)9-3-2-4-11(5-9)15(16,17)18/h2-7,22H,8H2,1H3,(H,19,23)(H,20,21)
InChIKeyCKYDQCQGGQEKQA-UHFFFAOYSA-N
XLogP2.63
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
CID 71086645
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-2-methylpropanamide
CID 68660876
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-methyl-2-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetamide
CID 87237332
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
CID 155389957
ethyl 2-oxo-6-[3-(trifluoromethyl)phenyl]-3-tritylimidazo[4,5-b]pyridine-1-carboxylate
CID 140869506
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781
N-cyclopropyl-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]propanamide
CID 134494048

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide (CID 68660883) is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide is CNC(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide?
The InChIKey is CKYDQCQGGQEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-19-13(23)8-21-14-12(22)6-10(7-20-14)9-3-2-4-11(5-9)15(16,17)18/h2-7,22H,8H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide?
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide has a molecular weight of 325.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide is sourced from PubChem (CID 68660883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).