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

C19H19FN2O2 — CID 168584798

IUPAC4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(F)cc2COC2CCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H19FN2O2/c1-12-8-17(18(10-21)19(23)22-12)16-7-6-14(20)9-13(16)11-24-15-4-2-3-5-15/h6-9,15H,2-5,11H2,1H3,(H,22,23)
InChIKeyGFTVFXWOCPQJAH-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.82
Rot. Bonds4

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

4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584798) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584798
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(F)cc2COC2CCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H19FN2O2/c1-12-8-17(18(10-21)19(23)22-12)16-7-6-14(20)9-13(16)11-24-15-4-2-3-5-15/h6-9,15H,2-5,11H2,1H3,(H,22,23)
InChIKeyGFTVFXWOCPQJAH-UHFFFAOYSA-N
XLogP3.82
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-Ethylidene-3-[2-[1-(4-fluoro-2-methylphenyl)ethenoxy]prop-2-enylidene]pyrrolidin-2-one
CID 123189927
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
(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 9380241
(2-cyano-4-fluorophenyl)methyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 138996189
4-[4-fluoro-2-(propan-2-yloxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584774
4-[2-(cyclohexyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584775

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584798) is 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(F)cc2COC2CCCC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is GFTVFXWOCPQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-8-17(18(10-21)19(23)22-12)16-7-6-14(20)9-13(16)11-24-15-4-2-3-5-15/h6-9,15H,2-5,11H2,1H3,(H,22,23).
What are the key properties of 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 326.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentyloxymethyl)-4-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).