1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile

C23H22FN3O2 — CID 25002941

IUPAC1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile
SMILESCCCCn1ccc(-c2ccc(Oc3cc(C)nc(C)c3)c(F)c2)c(C#N)c1=O
InChIInChI=1S/C23H22FN3O2/c1-4-5-9-27-10-8-19(20(14-25)23(27)28)17-6-7-22(21(24)13-17)29-18-11-15(2)26-16(3)12-18/h6-8,10-13H,4-5,9H2,1-3H3
InChIKeyWUPNJYUPJDFBLX-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.13
Rot. Bonds6

About 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile

1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile (PubChem CID 25002941) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile
PubChem CID25002941
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile
SMILESCCCCn1ccc(-c2ccc(Oc3cc(C)nc(C)c3)c(F)c2)c(C#N)c1=O
InChIInChI=1S/C23H22FN3O2/c1-4-5-9-27-10-8-19(20(14-25)23(27)28)17-6-7-22(21(24)13-17)29-18-11-15(2)26-16(3)12-18/h6-8,10-13H,4-5,9H2,1-3H3
InChIKeyWUPNJYUPJDFBLX-UHFFFAOYSA-N
XLogP5.13
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile (CID 25002941) is 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile is CCCCn1ccc(-c2ccc(Oc3cc(C)nc(C)c3)c(F)c2)c(C#N)c1=O.
What is the InChIKey of 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is WUPNJYUPJDFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-4-5-9-27-10-8-19(20(14-25)23(27)28)17-6-7-22(21(24)13-17)29-18-11-15(2)26-16(3)12-18/h6-8,10-13H,4-5,9H2,1-3H3.
What are the key properties of 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile?
1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 391.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 25002941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).