1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one

C20H20N2O3 — CID 67007472

IUPAC1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
SMILESO=c1cc(OCc2cccnc2)ccn1CCc1ccc(CO)cc1
InChIInChI=1S/C20H20N2O3/c23-14-17-5-3-16(4-6-17)7-10-22-11-8-19(12-20(22)24)25-15-18-2-1-9-21-13-18/h1-6,8-9,11-13,23H,7,10,14-15H2
InChIKeyURIDCFVWGDNKRU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.56
Rot. Bonds7

About 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one

1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one (PubChem CID 67007472) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
PubChem CID67007472
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
SMILESO=c1cc(OCc2cccnc2)ccn1CCc1ccc(CO)cc1
InChIInChI=1S/C20H20N2O3/c23-14-17-5-3-16(4-6-17)7-10-22-11-8-19(12-20(22)24)25-15-18-2-1-9-21-13-18/h1-6,8-9,11-13,23H,7,10,14-15H2
InChIKeyURIDCFVWGDNKRU-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one?
The IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one (CID 67007472) is 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one is O=c1cc(OCc2cccnc2)ccn1CCc1ccc(CO)cc1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one?
The InChIKey is URIDCFVWGDNKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-14-17-5-3-16(4-6-17)7-10-22-11-8-19(12-20(22)24)25-15-18-2-1-9-21-13-18/h1-6,8-9,11-13,23H,7,10,14-15H2.
What are the key properties of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one?
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 67007472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).