N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C21H25N7O2 — CID 122254531

IUPACN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCN(C)c1nc(CNC(=O)C(=O)c2c[nH]c3ccccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C21H25N7O2/c1-27(2)20-24-17(25-21(26-20)28-10-6-3-7-11-28)13-23-19(30)18(29)15-12-22-16-9-5-4-8-14(15)16/h4-5,8-9,12,22H,3,6-7,10-11,13H2,1-2H3,(H,23,30)
InChIKeyLBJGVJPUMRMOIJ-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.91
Rot. Bonds6

About N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122254531) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID122254531
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCN(C)c1nc(CNC(=O)C(=O)c2c[nH]c3ccccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C21H25N7O2/c1-27(2)20-24-17(25-21(26-20)28-10-6-3-7-11-28)13-23-19(30)18(29)15-12-22-16-9-5-4-8-14(15)16/h4-5,8-9,12,22H,3,6-7,10-11,13H2,1-2H3,(H,23,30)
InChIKeyLBJGVJPUMRMOIJ-UHFFFAOYSA-N
XLogP1.91
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyltriazole-4-carboxamide
CID 122254301
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 122254538
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
CID 122254169
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 121137964
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 122254556
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122254271
benzyl N-[2-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122254330
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254615
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 122254349
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121138047
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 121137983

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 122254531) is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is CN(C)c1nc(CNC(=O)C(=O)c2c[nH]c3ccccc23)nc(N2CCCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is LBJGVJPUMRMOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-27(2)20-24-17(25-21(26-20)28-10-6-3-7-11-28)13-23-19(30)18(29)15-12-22-16-9-5-4-8-14(15)16/h4-5,8-9,12,22H,3,6-7,10-11,13H2,1-2H3,(H,23,30).
What are the key properties of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 407.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122254531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).