N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide

C28H25FN2O4 — CID 69477753

IUPACN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(CO)cc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C28H25FN2O4/c29-23-13-11-20(12-14-23)16-30-28(33)26-27(35-19-22-9-5-2-6-10-22)25(15-24(17-32)31-26)34-18-21-7-3-1-4-8-21/h1-15,32H,16-19H2,(H,30,33)
InChIKeyIDWQDQHVNQULJI-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.80
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide (PubChem CID 69477753) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
PubChem CID69477753
Molecular FormulaC28H25FN2O4
Molecular Weight472.52 g/mol
Exact Mass472.18
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(CO)cc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C28H25FN2O4/c29-23-13-11-20(12-14-23)16-30-28(33)26-27(35-19-22-9-5-2-6-10-22)25(15-24(17-32)31-26)34-18-21-7-3-1-4-8-21/h1-15,32H,16-19H2,(H,30,33)
InChIKeyIDWQDQHVNQULJI-UHFFFAOYSA-N
XLogP4.80
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(4-fluorophenyl)methylcarbamoyl]-4,5-bis(phenylmethoxy)-2-pyridinyl]ethyl methanesulfonate
CID 87848765
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392913
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
CID 71482107
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
acetamide;N-[(4-fluorophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143478015

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide (CID 69477753) is N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(CO)cc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
The InChIKey is IDWQDQHVNQULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4/c29-23-13-11-20(12-14-23)16-30-28(33)26-27(35-19-22-9-5-2-6-10-22)25(15-24(17-32)31-26)34-18-21-7-3-1-4-8-21/h1-15,32H,16-19H2,(H,30,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 69477753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).