1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one

C21H22N2O3 — CID 67006941

IUPAC1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one
SMILESCc1cccnc1COc1ccn(CCc2ccc(CO)cc2)c(=O)c1
InChIInChI=1S/C21H22N2O3/c1-16-3-2-10-22-20(16)15-26-19-9-12-23(21(25)13-19)11-8-17-4-6-18(14-24)7-5-17/h2-7,9-10,12-13,24H,8,11,14-15H2,1H3
InChIKeySHGARELVGOYAFU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.87
Rot. Bonds7

About 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one

1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 67006941) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID67006941
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one
SMILESCc1cccnc1COc1ccn(CCc2ccc(CO)cc2)c(=O)c1
InChIInChI=1S/C21H22N2O3/c1-16-3-2-10-22-20(16)15-26-19-9-12-23(21(25)13-19)11-8-17-4-6-18(14-24)7-5-17/h2-7,9-10,12-13,24H,8,11,14-15H2,1H3
InChIKeySHGARELVGOYAFU-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.87
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-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one (CID 67006941) is 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one is Cc1cccnc1COc1ccn(CCc2ccc(CO)cc2)c(=O)c1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is SHGARELVGOYAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-16-3-2-10-22-20(16)15-26-19-9-12-23(21(25)13-19)11-8-17-4-6-18(14-24)7-5-17/h2-7,9-10,12-13,24H,8,11,14-15H2,1H3.
What are the key properties of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one?
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.87, 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-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 67006941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).