N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide

C17H20N4O — CID 56744427

IUPACN-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H20N4O/c1-3-13(10-21-9-8-18-12-21)19-17(22)15-11-20(2)16-7-5-4-6-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,19,22)
InChIKeyFNMWTYDCIHMSSF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.58
Rot. Bonds5

About N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide (PubChem CID 56744427) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
PubChem CID56744427
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H20N4O/c1-3-13(10-21-9-8-18-12-21)19-17(22)15-11-20(2)16-7-5-4-6-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,19,22)
InChIKeyFNMWTYDCIHMSSF-UHFFFAOYSA-N
XLogP2.58
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
CID 96573373
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672908
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide (CID 56744427) is N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide is CCC(Cn1ccnc1)NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide?
The InChIKey is FNMWTYDCIHMSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-13(10-21-9-8-18-12-21)19-17(22)15-11-20(2)16-7-5-4-6-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,19,22).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 56744427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).