N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide

C20H25N9O — CID 122254538

IUPACN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cnn(-c3ccccc3)n2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H25N9O/c1-27(2)19-23-17(24-20(25-19)28-11-7-4-8-12-28)14-21-18(30)16-13-22-29(26-16)15-9-5-3-6-10-15/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,21,30)
InChIKeyCMXNPFJQOTUFRS-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.44
Rot. Bonds6

About N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 122254538) has the molecular formula C20H25N9O 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-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
PubChem CID122254538
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cnn(-c3ccccc3)n2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H25N9O/c1-27(2)19-23-17(24-20(25-19)28-11-7-4-8-12-28)14-21-18(30)16-13-22-29(26-16)15-9-5-3-6-10-15/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,21,30)
InChIKeyCMXNPFJQOTUFRS-UHFFFAOYSA-N
XLogP1.44
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 121137964
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122254271
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 122254349
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyltriazole-4-carboxamide
CID 122254301
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
CID 122254169
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 122254531
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121138047

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide (CID 122254538) is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide is CN(C)c1nc(CNC(=O)c2cnn(-c3ccccc3)n2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is CMXNPFJQOTUFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O/c1-27(2)19-23-17(24-20(25-19)28-11-7-4-8-12-28)14-21-18(30)16-13-22-29(26-16)15-9-5-3-6-10-15/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,21,30).
What are the key properties of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide?
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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-phenyltriazole-4-carboxamide is sourced from PubChem (CID 122254538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).