3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one

C18H15ClN2O2 — CID 54703025

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccncc1
InChIInChI=1S/C18H15ClN2O2/c19-15-3-1-13(2-4-15)11-16-17(22)7-10-21(18(16)23)12-14-5-8-20-9-6-14/h1-10,22H,11-12H2
InChIKeyLWAPACCQEPQYJP-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.24
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one

3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one (PubChem CID 54703025) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one
PubChem CID54703025
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccncc1
InChIInChI=1S/C18H15ClN2O2/c19-15-3-1-13(2-4-15)11-16-17(22)7-10-21(18(16)23)12-14-5-8-20-9-6-14/h1-10,22H,11-12H2
InChIKeyLWAPACCQEPQYJP-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one (CID 54703025) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one is O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccncc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
The InChIKey is LWAPACCQEPQYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-15-3-1-13(2-4-15)11-16-17(22)7-10-21(18(16)23)12-14-5-8-20-9-6-14/h1-10,22H,11-12H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one?
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one has a molecular weight of 326.78 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54703025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).