6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide

C24H23N3O4S — CID 90359483

IUPAC6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide
SMILESCOc1ccc2c(Cc3cccc(C(=O)NS(C)(=O)=O)n3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C24H23N3O4S/c1-27-22-15-18(31-2)12-13-19(22)20(23(27)16-8-5-4-6-9-16)14-17-10-7-11-21(25-17)24(28)26-32(3,29)30/h4-13,15H,14H2,1-3H3,(H,26,28)
InChIKeyUKJLJEOVYBLCAH-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.53
Rot. Bonds6

About 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide

6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide (PubChem CID 90359483) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide
PubChem CID90359483
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide
SMILESCOc1ccc2c(Cc3cccc(C(=O)NS(C)(=O)=O)n3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C24H23N3O4S/c1-27-22-15-18(31-2)12-13-19(22)20(23(27)16-8-5-4-6-9-16)14-17-10-7-11-21(25-17)24(28)26-32(3,29)30/h4-13,15H,14H2,1-3H3,(H,26,28)
InChIKeyUKJLJEOVYBLCAH-UHFFFAOYSA-N
XLogP3.53
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide (CID 90359483) is 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide is COc1ccc2c(Cc3cccc(C(=O)NS(C)(=O)=O)n3)c(-c3ccccc3)n(C)c2c1.
What is the InChIKey of 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide?
The InChIKey is UKJLJEOVYBLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-27-22-15-18(31-2)12-13-19(22)20(23(27)16-8-5-4-6-9-16)14-17-10-7-11-21(25-17)24(28)26-32(3,29)30/h4-13,15H,14H2,1-3H3,(H,26,28).
What are the key properties of 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide?
6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-1-methyl-2-phenylindol-3-yl)methyl]-N-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 90359483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).