3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

C16H16F3N3O — CID 91766190

IUPAC3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(C(Nc2ccc(C(F)(F)F)cn2)c2ccccn2)C1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)11-4-5-14(21-9-11)22-15(10-7-12(23)8-10)13-3-1-2-6-20-13/h1-6,9-10,12,15,23H,7-8H2,(H,21,22)
InChIKeyLKVRPSLLAVWTKN-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.42
Rot. Bonds4

About 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 91766190) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID91766190
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(C(Nc2ccc(C(F)(F)F)cn2)c2ccccn2)C1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)11-4-5-14(21-9-11)22-15(10-7-12(23)8-10)13-3-1-2-6-20-13/h1-6,9-10,12,15,23H,7-8H2,(H,21,22)
InChIKeyLKVRPSLLAVWTKN-UHFFFAOYSA-N
XLogP3.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 91766190) is 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is OC1CC(C(Nc2ccc(C(F)(F)F)cn2)c2ccccn2)C1.
What is the InChIKey of 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is LKVRPSLLAVWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)11-4-5-14(21-9-11)22-15(10-7-12(23)8-10)13-3-1-2-6-20-13/h1-6,9-10,12,15,23H,7-8H2,(H,21,22).
What are the key properties of 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 323.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[pyridin-2-yl-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 91766190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).