6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile

C19H19F3N4O — CID 133392432

IUPAC6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile
SMILESCOC1CCN(c2ccc(Nc3cccc(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H19F3N4O/c1-27-15-7-9-26(10-8-15)17-6-5-13(11-16(17)19(20,21)22)24-18-4-2-3-14(12-23)25-18/h2-6,11,15H,7-10H2,1H3,(H,24,25)
InChIKeyOKYHLWUXZVBNMZ-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.33
Rot. Bonds4

About 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile

6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile (PubChem CID 133392432) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile
PubChem CID133392432
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile
SMILESCOC1CCN(c2ccc(Nc3cccc(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H19F3N4O/c1-27-15-7-9-26(10-8-15)17-6-5-13(11-16(17)19(20,21)22)24-18-4-2-3-14(12-23)25-18/h2-6,11,15H,7-10H2,1H3,(H,24,25)
InChIKeyOKYHLWUXZVBNMZ-UHFFFAOYSA-N
XLogP4.33
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile (CID 133392432) is 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile is COC1CCN(c2ccc(Nc3cccc(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is OKYHLWUXZVBNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-27-15-7-9-26(10-8-15)17-6-5-13(11-16(17)19(20,21)22)24-18-4-2-3-14(12-23)25-18/h2-6,11,15H,7-10H2,1H3,(H,24,25).
What are the key properties of 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 376.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).