5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide

C28H27N3O5S — CID 159798561

IUPAC5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3ccn(S(=O)(=O)c4ccc(C)cc4)c23)c1=O
InChIInChI=1S/C28H27N3O5S/c1-18-6-10-23(11-7-18)37(35,36)31-13-12-20-4-3-5-21(26(20)31)16-30-17-22(25(32)14-19-8-9-19)15-24(28(30)34)27(33)29-2/h3-7,10-13,15,17,19H,8-9,14,16H2,1-2H3,(H,29,33)
InChIKeyNJMGRMUNAGNSHT-UHFFFAOYSA-N
MW517.61 g/mol
LogP3.74
Rot. Bonds8

About 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide

5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 159798561) has the molecular formula C28H27N3O5S and a molecular weight of 517.61 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID159798561
Molecular FormulaC28H27N3O5S
Molecular Weight517.61 g/mol
Exact Mass517.17
IUPAC Name5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3ccn(S(=O)(=O)c4ccc(C)cc4)c23)c1=O
InChIInChI=1S/C28H27N3O5S/c1-18-6-10-23(11-7-18)37(35,36)31-13-12-20-4-3-5-21(26(20)31)16-30-17-22(25(32)14-19-8-9-19)15-24(28(30)34)27(33)29-2/h3-7,10-13,15,17,19H,8-9,14,16H2,1-2H3,(H,29,33)
InChIKeyNJMGRMUNAGNSHT-UHFFFAOYSA-N
XLogP3.74
TPSA107.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161288744
5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 153186266
trans-(1R,2R)-2-[1-(4-methylphenyl)sulfonylindol-7-yl]cyclopropane-1-carboxylic acid
CID 146460863
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266
5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 160951853
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005
1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
CID 8594078
1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676370

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide (CID 159798561) is 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3ccn(S(=O)(=O)c4ccc(C)cc4)c23)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is NJMGRMUNAGNSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5S/c1-18-6-10-23(11-7-18)37(35,36)31-13-12-20-4-3-5-21(26(20)31)16-30-17-22(25(32)14-19-8-9-19)15-24(28(30)34)27(33)29-2/h3-7,10-13,15,17,19H,8-9,14,16H2,1-2H3,(H,29,33).
What are the key properties of 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-N-methyl-1-[[1-(4-methylphenyl)sulfonylindol-7-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159798561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).