N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide

C23H27N7O — CID 58081259

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3c(c2)c(C)c(C)n3C)nn1
InChIInChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31)
InChIKeyKXTIOXUGQMYWJG-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.96
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 58081259) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide
PubChem CID58081259
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3c(c2)c(C)c(C)n3C)nn1
InChIInChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31)
InChIKeyKXTIOXUGQMYWJG-UHFFFAOYSA-N
XLogP2.96
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide (CID 58081259) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3c(c2)c(C)c(C)n3C)nn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is KXTIOXUGQMYWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 58081259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).