5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide

C24H27N5O — CID 166371118

IUPAC5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCCC(Cc1cn(C)c2ccccc12)NC(=O)c1nnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C24H27N5O/c1-5-19(14-18-15-28(4)22-12-7-6-11-21(18)22)25-24(30)23-17(3)29(27-26-23)20-10-8-9-16(2)13-20/h6-13,15,19H,5,14H2,1-4H3,(H,25,30)
InChIKeyVORDEXZBPXLUEY-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.13
Rot. Bonds6

About 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide

5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 166371118) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID166371118
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCCC(Cc1cn(C)c2ccccc12)NC(=O)c1nnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C24H27N5O/c1-5-19(14-18-15-28(4)22-12-7-6-11-21(18)22)25-24(30)23-17(3)29(27-26-23)20-10-8-9-16(2)13-20/h6-13,15,19H,5,14H2,1-4H3,(H,25,30)
InChIKeyVORDEXZBPXLUEY-UHFFFAOYSA-N
XLogP4.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-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

(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
(E)-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120693785
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 6493805
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516245
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55854839
2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide
CID 55913517
ethyl (2S)-2-[[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]-3-methylbutanoate
CID 97100019
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide (CID 166371118) is 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide is CCC(Cc1cn(C)c2ccccc12)NC(=O)c1nnn(-c2cccc(C)c2)c1C.
What is the InChIKey of 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is VORDEXZBPXLUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-5-19(14-18-15-28(4)22-12-7-6-11-21(18)22)25-24(30)23-17(3)29(27-26-23)20-10-8-9-16(2)13-20/h6-13,15,19H,5,14H2,1-4H3,(H,25,30).
What are the key properties of 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide?
5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-methylindol-3-yl)butan-2-yl]-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 166371118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).