N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide

C26H21F2N3O3 — CID 71091833

IUPACN-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2ccnc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C26H21F2N3O3/c1-2-24(32)30-22-11-12-23(18-3-5-19(27)6-4-18)31(26(22)33)16-17-13-14-29-25(15-17)34-21-9-7-20(28)8-10-21/h3-15H,2,16H2,1H3,(H,30,32)
InChIKeyQRUWUIKVCXQMKK-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.38
Rot. Bonds7

About N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide

N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide (PubChem CID 71091833) has the molecular formula C26H21F2N3O3 and a molecular weight of 461.47 g/mol. Its IUPAC name is N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide
PubChem CID71091833
Molecular FormulaC26H21F2N3O3
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC NameN-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2ccnc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C26H21F2N3O3/c1-2-24(32)30-22-11-12-23(18-3-5-19(27)6-4-18)31(26(22)33)16-17-13-14-29-25(15-17)34-21-9-7-20(28)8-10-21/h3-15H,2,16H2,1H3,(H,30,32)
InChIKeyQRUWUIKVCXQMKK-UHFFFAOYSA-N
XLogP5.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide?
The IUPAC name of N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide (CID 71091833) is N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide.
What is the SMILES notation for N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide?
The canonical SMILES for N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2ccnc(Oc3ccc(F)cc3)c2)c1=O.
What is the InChIKey of N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide?
The InChIKey is QRUWUIKVCXQMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O3/c1-2-24(32)30-22-11-12-23(18-3-5-19(27)6-4-18)31(26(22)33)16-17-13-14-29-25(15-17)34-21-9-7-20(28)8-10-21/h3-15H,2,16H2,1H3,(H,30,32).
What are the key properties of N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide?
N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide has a molecular weight of 461.47 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide is sourced from PubChem (CID 71091833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).