4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C20H21FN2O2 — CID 168584775

IUPAC4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(F)cc2COC2CCCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H21FN2O2/c1-13-9-18(19(11-22)20(24)23-13)17-8-7-15(21)10-14(17)12-25-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3,(H,23,24)
InChIKeyASQZSOKDILFLBI-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.21
Rot. Bonds4

About 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584775) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584775
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(F)cc2COC2CCCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H21FN2O2/c1-13-9-18(19(11-22)20(24)23-13)17-8-7-15(21)10-14(17)12-25-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3,(H,23,24)
InChIKeyASQZSOKDILFLBI-UHFFFAOYSA-N
XLogP4.21
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(methoxymethyl)phenyl]-1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 44345254
5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493538
5-ethyl-3-[(3-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493539
5-ethyl-3-[(4-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493540
4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one
CID 70955592
7-fluoro-1-[(2-fluoro-6-methylphenyl)methoxy]-3-oxo-2H-isoquinoline-4-carbonitrile
CID 71053564
7-fluoro-1-[(2-methylphenyl)methoxy]-3-oxo-2H-isoquinoline-4-carbonitrile
CID 71053638
2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]benzonitrile
CID 91121446
4-(4-Fluoro-phenyl)-2-oxo-1,5,7,8-tetrahydro-2H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 118589303
5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile
CID 141203375
(2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784042
(3-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784250

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584775) is 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(F)cc2COC2CCCCC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ASQZSOKDILFLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-9-18(19(11-22)20(24)23-13)17-8-7-15(21)10-14(17)12-25-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3,(H,23,24).
What are the key properties of 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 340.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).