1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol

C18H19F3N2O — CID 175811108

IUPAC1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol
SMILESC#CCN(Cc1ccc(C(F)(F)F)cc1)CC1C=CC(O)=CN1C
InChIInChI=1S/C18H19F3N2O/c1-3-10-23(12-16-8-9-17(24)13-22(16)2)11-14-4-6-15(7-5-14)18(19,20)21/h1,4-9,13,16,24H,10-12H2,2H3
InChIKeyUUIFCFFCHUOMRB-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.41
Rot. Bonds5

About 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol

1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol (PubChem CID 175811108) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol.

Molecular Properties

Compound Name1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol
PubChem CID175811108
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol
SMILESC#CCN(Cc1ccc(C(F)(F)F)cc1)CC1C=CC(O)=CN1C
InChIInChI=1S/C18H19F3N2O/c1-3-10-23(12-16-8-9-17(24)13-22(16)2)11-14-4-6-15(7-5-14)18(19,20)21/h1,4-9,13,16,24H,10-12H2,2H3
InChIKeyUUIFCFFCHUOMRB-UHFFFAOYSA-N
XLogP3.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol?
The IUPAC name of 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol (CID 175811108) is 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol.
What is the SMILES notation for 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol?
The canonical SMILES for 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol is C#CCN(Cc1ccc(C(F)(F)F)cc1)CC1C=CC(O)=CN1C.
What is the InChIKey of 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol?
The InChIKey is UUIFCFFCHUOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-3-10-23(12-16-8-9-17(24)13-22(16)2)11-14-4-6-15(7-5-14)18(19,20)21/h1,4-9,13,16,24H,10-12H2,2H3.
What are the key properties of 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol?
1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol has a molecular weight of 336.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol is sourced from PubChem (CID 175811108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).