N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

C25H25FN2O2 — CID 129457932

IUPACN-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1
InChIInChI=1S/C25H25FN2O2/c26-23-3-1-2-20(16-23)18-28-24(29)25(10-14-30-15-11-25)17-19-4-6-21(7-5-19)22-8-12-27-13-9-22/h1-9,12-13,16H,10-11,14-15,17-18H2,(H,28,29)
InChIKeyRJJJUTWDPYQERJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.54
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 129457932) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID129457932
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1
InChIInChI=1S/C25H25FN2O2/c26-23-3-1-2-20(16-23)18-28-24(29)25(10-14-30-15-11-25)17-19-4-6-21(7-5-19)22-8-12-27-13-9-22/h1-9,12-13,16H,10-11,14-15,17-18H2,(H,28,29)
InChIKeyRJJJUTWDPYQERJ-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082812
N-[(4-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458157
N-[(2-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458844
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 110075870
N-(2-hydroxypropyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110083079
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 125026020
N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110088142
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 155982740
N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
CID 139010634
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110075872
N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082796

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (CID 129457932) is N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is O=C(NCc1cccc(F)c1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is RJJJUTWDPYQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-23-3-1-2-20(16-23)18-28-24(29)25(10-14-30-15-11-25)17-19-4-6-21(7-5-19)22-8-12-27-13-9-22/h1-9,12-13,16H,10-11,14-15,17-18H2,(H,28,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 129457932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).