4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

C26H28N2O3 — CID 110075870

IUPAC4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccc(-c2cccc(CC3(C(=O)NCc4ccncc4)CCOCC3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-30-24-7-5-22(6-8-24)23-4-2-3-21(17-23)18-26(11-15-31-16-12-26)25(29)28-19-20-9-13-27-14-10-20/h2-10,13-14,17H,11-12,15-16,18-19H2,1H3,(H,28,29)
InChIKeyLATGHBIRSINPPM-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.41
Rot. Bonds7

About 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide (PubChem CID 110075870) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
PubChem CID110075870
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccc(-c2cccc(CC3(C(=O)NCc4ccncc4)CCOCC3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-30-24-7-5-22(6-8-24)23-4-2-3-21(17-23)18-26(11-15-31-16-12-26)25(29)28-19-20-9-13-27-14-10-20/h2-10,13-14,17H,11-12,15-16,18-19H2,1H3,(H,28,29)
InChIKeyLATGHBIRSINPPM-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110075872
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 155982740
N-[(4-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458157
N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938713
N-(2-hydroxypropyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110083079
N-[(2-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458844
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
N-[(4-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082812
N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110088142
4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 132779071
N-(2-hydroxypropyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110083112
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
CID 139010634

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide (CID 110075870) is 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide is COc1ccc(-c2cccc(CC3(C(=O)NCc4ccncc4)CCOCC3)c2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is LATGHBIRSINPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-30-24-7-5-22(6-8-24)23-4-2-3-21(17-23)18-26(11-15-31-16-12-26)25(29)28-19-20-9-13-27-14-10-20/h2-10,13-14,17H,11-12,15-16,18-19H2,1H3,(H,28,29).
What are the key properties of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 110075870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).