1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde

C20H17NO3 — CID 4607667

IUPAC1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C20H17NO3/c22-14-18-11-19(23)20(24-15-17-9-5-2-6-10-17)13-21(18)12-16-7-3-1-4-8-16/h1-11,13-14H,12,15H2
InChIKeyMCMWLNPZJNPWFC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.29
Rot. Bonds6

About 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde

1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde (PubChem CID 4607667) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
PubChem CID4607667
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C20H17NO3/c22-14-18-11-19(23)20(24-15-17-9-5-2-6-10-17)13-21(18)12-16-7-3-1-4-8-16/h1-11,13-14H,12,15H2
InChIKeyMCMWLNPZJNPWFC-UHFFFAOYSA-N
XLogP3.29
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 14326676
1-benzyl-4-pyridin-4-ylpyrrole-2-carbaldehyde
CID 123471961
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 56761874
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
1-benzyl-2-(bromomethyl)-5-butoxypyridin-4-one
CID 14749939
1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
CID 86680277
1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 155679765
2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
CID 140931594
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-(difluoromethyl)-1-ethyl-5-phenylmethoxypyridin-4-one;2-(difluoromethyl)-5-phenylmethoxypyran-4-one
CID 160655836
1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
CID 178047506

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde?
The IUPAC name of 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde (CID 4607667) is 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde.
What is the SMILES notation for 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde?
The canonical SMILES for 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde is O=Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde?
The InChIKey is MCMWLNPZJNPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-14-18-11-19(23)20(24-15-17-9-5-2-6-10-17)13-21(18)12-16-7-3-1-4-8-16/h1-11,13-14H,12,15H2.
What are the key properties of 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde?
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde has a molecular weight of 319.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde is sourced from PubChem (CID 4607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).