3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one

C20H19ClN2O2 — CID 54723585

IUPAC3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one
SMILESCCCCc1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H19ClN2O2/c1-2-3-4-17-19(24)13-18(14-9-11-22-12-10-14)23(20(17)25)16-7-5-15(21)6-8-16/h5-13,24H,2-4H2,1H3
InChIKeyVJNTXCMHXDXHPN-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.60
Rot. Bonds5

About 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one

3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one (PubChem CID 54723585) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one
PubChem CID54723585
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one
SMILESCCCCc1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H19ClN2O2/c1-2-3-4-17-19(24)13-18(14-9-11-22-12-10-14)23(20(17)25)16-7-5-15(21)6-8-16/h5-13,24H,2-4H2,1H3
InChIKeyVJNTXCMHXDXHPN-UHFFFAOYSA-N
XLogP4.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one (CID 54723585) is 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one is CCCCc1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one?
The InChIKey is VJNTXCMHXDXHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-3-4-17-19(24)13-18(14-9-11-22-12-10-14)23(20(17)25)16-7-5-15(21)6-8-16/h5-13,24H,2-4H2,1H3.
What are the key properties of 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one?
3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one has a molecular weight of 354.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-chlorophenyl)-4-hydroxy-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 54723585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).