2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide

C18H19N3O2S — CID 175756031

IUPAC2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide
SMILES[2H]C([2H])([2H])Sc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2S/c1-10-8-15(24-3)13(17(22)20-10)9-19-18(23)16-11(2)21-14-7-5-4-6-12(14)16/h4-8,21H,9H2,1-3H3,(H,19,23)(H,20,22)/i3D3
InChIKeyCYPVECLVHMCFPN-HPRDVNIFSA-N
MW344.45 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide

2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide (PubChem CID 175756031) has the molecular formula C18H19N3O2S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide
PubChem CID175756031
Molecular FormulaC18H19N3O2S
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide
SMILES[2H]C([2H])([2H])Sc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2S/c1-10-8-15(24-3)13(17(22)20-10)9-19-18(23)16-11(2)21-14-7-5-4-6-12(14)16/h4-8,21H,9H2,1-3H3,(H,19,23)(H,20,22)/i3D3
InChIKeyCYPVECLVHMCFPN-HPRDVNIFSA-N
XLogP3.12
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide (CID 175756031) is 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide is [2H]C([2H])([2H])Sc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide?
The InChIKey is CYPVECLVHMCFPN-HPRDVNIFSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-10-8-15(24-3)13(17(22)20-10)9-19-18(23)16-11(2)21-14-7-5-4-6-12(14)16/h4-8,21H,9H2,1-3H3,(H,19,23)(H,20,22)/i3D3.
What are the key properties of 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide?
2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 175756031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).