5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide

C23H22FN3O4 — CID 71482107

IUPAC5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ncc(C(=O)NCc2ccc(F)cc2)c(OCc2ccccc2)c1OC
InChIInChI=1S/C23H22FN3O4/c1-25-23(29)19-21(30-2)20(31-14-16-6-4-3-5-7-16)18(13-26-19)22(28)27-12-15-8-10-17(24)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyUPAQTJAHOQQSMJ-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.10
Rot. Bonds8

About 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide

5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide (PubChem CID 71482107) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
PubChem CID71482107
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ncc(C(=O)NCc2ccc(F)cc2)c(OCc2ccccc2)c1OC
InChIInChI=1S/C23H22FN3O4/c1-25-23(29)19-21(30-2)20(31-14-16-6-4-3-5-7-16)18(13-26-19)22(28)27-12-15-8-10-17(24)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyUPAQTJAHOQQSMJ-UHFFFAOYSA-N
XLogP3.10
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide
CID 69476732
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 69477753
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide (CID 71482107) is 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide is CNC(=O)c1ncc(C(=O)NCc2ccc(F)cc2)c(OCc2ccccc2)c1OC.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide?
The InChIKey is UPAQTJAHOQQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-25-23(29)19-21(30-2)20(31-14-16-6-4-3-5-7-16)18(13-26-19)22(28)27-12-15-8-10-17(24)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide?
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide is sourced from PubChem (CID 71482107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).