1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide

C19H19N3O2 — CID 47068134

IUPAC1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-3-18(23)20-13-8-10-14(11-9-13)21-19(24)16-12-22(2)17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGBXYMGGFPPXWKM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.78
Rot. Bonds4

About 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide

1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide (PubChem CID 47068134) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
PubChem CID47068134
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-3-18(23)20-13-8-10-14(11-9-13)21-19(24)16-12-22(2)17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGBXYMGGFPPXWKM-UHFFFAOYSA-N
XLogP3.78
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
1-(4-butylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8017250
1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide
CID 46402616
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 86794129
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
CID 26369530
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide (CID 47068134) is 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide?
The InChIKey is GBXYMGGFPPXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-18(23)20-13-8-10-14(11-9-13)21-19(24)16-12-22(2)17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide?
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide is sourced from PubChem (CID 47068134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).