4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

C18H19FN2O2 — CID 24809653

IUPAC4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1F
InChIInChI=1S/C18H19FN2O2/c1-12(2)6-8-21-9-7-14(15(11-20)18(21)22)13-4-5-17(23-3)16(19)10-13/h4-5,7,9-10,12H,6,8H2,1-3H3
InChIKeyKFTJKOTZDQHRIC-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.58
Rot. Bonds5

About 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (PubChem CID 24809653) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
PubChem CID24809653
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1F
InChIInChI=1S/C18H19FN2O2/c1-12(2)6-8-21-9-7-14(15(11-20)18(21)22)13-4-5-17(23-3)16(19)10-13/h4-5,7,9-10,12H,6,8H2,1-3H3
InChIKeyKFTJKOTZDQHRIC-UHFFFAOYSA-N
XLogP3.58
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (CID 24809653) is 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is COc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is KFTJKOTZDQHRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(2)6-8-21-9-7-14(15(11-20)18(21)22)13-4-5-17(23-3)16(19)10-13/h4-5,7,9-10,12H,6,8H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 314.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 24809653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).