3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide

C15H16N2O3 — CID 91584519

IUPAC3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide
SMILESCOC(OCc1ccncc1)c1cccc(C(N)=O)c1
InChIInChI=1S/C15H16N2O3/c1-19-15(20-10-11-5-7-17-8-6-11)13-4-2-3-12(9-13)14(16)18/h2-9,15H,10H2,1H3,(H2,16,18)
InChIKeyOSABRYMJMKJOKC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.04
Rot. Bonds6

About 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide

3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide (PubChem CID 91584519) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide
PubChem CID91584519
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide
SMILESCOC(OCc1ccncc1)c1cccc(C(N)=O)c1
InChIInChI=1S/C15H16N2O3/c1-19-15(20-10-11-5-7-17-8-6-11)13-4-2-3-12(9-13)14(16)18/h2-9,15H,10H2,1H3,(H2,16,18)
InChIKeyOSABRYMJMKJOKC-UHFFFAOYSA-N
XLogP2.04
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[methoxy(methoxymethoxy)methyl]benzamide
CID 91348805
3-[bromo(methoxy)methyl]benzamide
CID 57281068
methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
CID 22282363
3-(dihydroxymethyl)benzamide
CID 174476205
3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
3-[diethylsulfamoyl(methoxy)methyl]benzamide
CID 91128223
3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 145422329
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
3-[amino(hydroxy)methyl]benzamide
CID 140561822
4-(propan-2-yloxymethyl)pyridine
CID 14442204

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide?
The IUPAC name of 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide (CID 91584519) is 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide.
What is the SMILES notation for 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide?
The canonical SMILES for 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide is COC(OCc1ccncc1)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide?
The InChIKey is OSABRYMJMKJOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-15(20-10-11-5-7-17-8-6-11)13-4-2-3-12(9-13)14(16)18/h2-9,15H,10H2,1H3,(H2,16,18).
What are the key properties of 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide?
3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide is sourced from PubChem (CID 91584519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).