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

C19H19N3O3 — CID 67006586

IUPAC1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one
SMILESO=c1cc(OCc2cccnn2)ccn1CCc1ccc(CO)cc1
InChIInChI=1S/C19H19N3O3/c23-13-16-5-3-15(4-6-16)7-10-22-11-8-18(12-19(22)24)25-14-17-2-1-9-20-21-17/h1-6,8-9,11-12,23H,7,10,13-14H2
InChIKeyKNYCXWGTPFIDQW-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.95
Rot. Bonds7

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

1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one (PubChem CID 67006586) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one
PubChem CID67006586
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one
SMILESO=c1cc(OCc2cccnn2)ccn1CCc1ccc(CO)cc1
InChIInChI=1S/C19H19N3O3/c23-13-16-5-3-15(4-6-16)7-10-22-11-8-18(12-19(22)24)25-14-17-2-1-9-20-21-17/h1-6,8-9,11-12,23H,7,10,13-14H2
InChIKeyKNYCXWGTPFIDQW-UHFFFAOYSA-N
XLogP1.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
CID 67007472
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one
CID 67006941
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
4-(pyridin-2-ylmethoxy)-1-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]pyridin-2-one
CID 58042699
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143850273
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
CID 106895571
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 90699863
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 58042759
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82866640

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one?
The IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one (CID 67006586) is 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one is O=c1cc(OCc2cccnn2)ccn1CCc1ccc(CO)cc1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one?
The InChIKey is KNYCXWGTPFIDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-13-16-5-3-15(4-6-16)7-10-22-11-8-18(12-19(22)24)25-14-17-2-1-9-20-21-17/h1-6,8-9,11-12,23H,7,10,13-14H2.
What are the key properties of 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one?
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 67006586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).