6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide

C24H25N3O5S — CID 142537179

IUPAC6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(COc2cccc(-c3ccc(OCC4CCC4)nc3)c2)nc1
InChIInChI=1S/C24H25N3O5S/c1-33(29,30)27-24(28)20-8-10-21(25-14-20)16-31-22-7-3-6-18(12-22)19-9-11-23(26-13-19)32-15-17-4-2-5-17/h3,6-14,17H,2,4-5,15-16H2,1H3,(H,27,28)
InChIKeyBFFHFHKMAYZARS-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.59
Rot. Bonds9

About 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide

6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide (PubChem CID 142537179) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide
PubChem CID142537179
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(COc2cccc(-c3ccc(OCC4CCC4)nc3)c2)nc1
InChIInChI=1S/C24H25N3O5S/c1-33(29,30)27-24(28)20-8-10-21(25-14-20)16-31-22-7-3-6-18(12-22)19-9-11-23(26-13-19)32-15-17-4-2-5-17/h3,6-14,17H,2,4-5,15-16H2,1H3,(H,27,28)
InChIKeyBFFHFHKMAYZARS-UHFFFAOYSA-N
XLogP3.59
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide (CID 142537179) is 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide is CS(=O)(=O)NC(=O)c1ccc(COc2cccc(-c3ccc(OCC4CCC4)nc3)c2)nc1.
What is the InChIKey of 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide?
The InChIKey is BFFHFHKMAYZARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-33(29,30)27-24(28)20-8-10-21(25-14-20)16-31-22-7-3-6-18(12-22)19-9-11-23(26-13-19)32-15-17-4-2-5-17/h3,6-14,17H,2,4-5,15-16H2,1H3,(H,27,28).
What are the key properties of 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide?
6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 142537179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).