5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide

C24H20N4O3S — CID 176510336

IUPAC5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc3c(c2)OCC3)c(NC(=O)c2csc3ccccc23)c1
InChIInChI=1S/C24H20N4O3S/c1-25-23(29)15-10-19(28-24(30)18-13-32-21-5-3-2-4-17(18)21)22(26-12-15)27-16-7-6-14-8-9-31-20(14)11-16/h2-7,10-13H,8-9H2,1H3,(H,25,29)(H,26,27)(H,28,30)
InChIKeyWGXUCMKTQVTMPT-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.59
Rot. Bonds5

About 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide

5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide (PubChem CID 176510336) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide
PubChem CID176510336
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc3c(c2)OCC3)c(NC(=O)c2csc3ccccc23)c1
InChIInChI=1S/C24H20N4O3S/c1-25-23(29)15-10-19(28-24(30)18-13-32-21-5-3-2-4-17(18)21)22(26-12-15)27-16-7-6-14-8-9-31-20(14)11-16/h2-7,10-13H,8-9H2,1H3,(H,25,29)(H,26,27)(H,28,30)
InChIKeyWGXUCMKTQVTMPT-UHFFFAOYSA-N
XLogP4.59
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide (CID 176510336) is 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc3c(c2)OCC3)c(NC(=O)c2csc3ccccc23)c1.
What is the InChIKey of 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is WGXUCMKTQVTMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-25-23(29)15-10-19(28-24(30)18-13-32-21-5-3-2-4-17(18)21)22(26-12-15)27-16-7-6-14-8-9-31-20(14)11-16/h2-7,10-13H,8-9H2,1H3,(H,25,29)(H,26,27)(H,28,30).
What are the key properties of 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide?
5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1-benzofuran-6-ylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 176510336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).