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

C19H17ClN2O2 — CID 54708957

IUPAC1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one
SMILESCC(C)c1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H17ClN2O2/c1-12(2)18-17(23)11-16(13-7-9-21-10-8-13)22(19(18)24)15-5-3-14(20)4-6-15/h3-12,23H,1-2H3
InChIKeyNLZSMWXSSYKHLL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.38
Rot. Bonds3

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

1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one (PubChem CID 54708957) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one
PubChem CID54708957
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one
SMILESCC(C)c1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H17ClN2O2/c1-12(2)18-17(23)11-16(13-7-9-21-10-8-13)22(19(18)24)15-5-3-14(20)4-6-15/h3-12,23H,1-2H3
InChIKeyNLZSMWXSSYKHLL-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one (CID 54708957) is 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one is CC(C)c1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one?
The InChIKey is NLZSMWXSSYKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12(2)18-17(23)11-16(13-7-9-21-10-8-13)22(19(18)24)15-5-3-14(20)4-6-15/h3-12,23H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one?
1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one has a molecular weight of 340.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-hydroxy-3-propan-2-yl-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 54708957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).