1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile

C20H18F3N3O2 — CID 135668565

IUPAC1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccccc2C(F)(F)F)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C20H18F3N3O2/c1-12-14(10-24)18(27)26(13-6-2-3-7-13)19(28)15(12)11-25-17-9-5-4-8-16(17)20(21,22)23/h4-5,8-9,11,13,28H,2-3,6-7H2,1H3/b25-11+
InChIKeyFWYDUAQEBSANQH-OPEKNORGSA-N
MW389.38 g/mol
LogP4.62
Rot. Bonds3

About 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile

1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile (PubChem CID 135668565) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
PubChem CID135668565
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccccc2C(F)(F)F)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C20H18F3N3O2/c1-12-14(10-24)18(27)26(13-6-2-3-7-13)19(28)15(12)11-25-17-9-5-4-8-16(17)20(21,22)23/h4-5,8-9,11,13,28H,2-3,6-7H2,1H3/b25-11+
InChIKeyFWYDUAQEBSANQH-OPEKNORGSA-N
XLogP4.62
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile (CID 135668565) is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile is Cc1c(/C=N/c2ccccc2C(F)(F)F)c(O)n(C2CCCC2)c(=O)c1C#N.
What is the InChIKey of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile?
The InChIKey is FWYDUAQEBSANQH-OPEKNORGSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12-14(10-24)18(27)26(13-6-2-3-7-13)19(28)15(12)11-25-17-9-5-4-8-16(17)20(21,22)23/h4-5,8-9,11,13,28H,2-3,6-7H2,1H3/b25-11+.
What are the key properties of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile?
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile has a molecular weight of 389.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135668565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).