3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide

C15H19N3O2 — CID 176559593

IUPAC3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C15H19N3O2/c1-11-9-17(3)14-8-12(4-5-13(11)14)18(10-19)7-6-15(20)16-2/h4-5,8-10H,6-7H2,1-3H3,(H,16,20)
InChIKeyFBVSJGVYXDLMFW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds5

About 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide

3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide (PubChem CID 176559593) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide
PubChem CID176559593
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C15H19N3O2/c1-11-9-17(3)14-8-12(4-5-13(11)14)18(10-19)7-6-15(20)16-2/h4-5,8-10H,6-7H2,1-3H3,(H,16,20)
InChIKeyFBVSJGVYXDLMFW-UHFFFAOYSA-N
XLogP1.59
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide
CID 178004506
N,N,1,3-tetramethylindole-6-carboxamide
CID 122677737
1,3-dimethylindol-6-ol
CID 83815731
2-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205026
3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-N-formyl-2-methylanilino]-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 177197431
6-(N-formyl-3,4-dimethylanilino)hexanoic acid
CID 20848198
3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide
CID 177160512
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide
CID 163400362
1-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)but-1-enyl]-1-(1,3-dimethylindol-5-yl)-3-methylthiourea
CID 123649742
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide?
The IUPAC name of 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide (CID 176559593) is 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide is CNC(=O)CCN(C=O)c1ccc2c(C)cn(C)c2c1.
What is the InChIKey of 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide?
The InChIKey is FBVSJGVYXDLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-17(3)14-8-12(4-5-13(11)14)18(10-19)7-6-15(20)16-2/h4-5,8-10H,6-7H2,1-3H3,(H,16,20).
What are the key properties of 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide?
3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide is sourced from PubChem (CID 176559593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).