1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide

C18H27N7O — CID 71708821

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(CC(C)C)n3)CC2)n1
InChIInChI=1S/C18H27N7O/c1-11(2)9-15-21-17(24-23-15)22-16(26)14-5-7-25(8-6-14)18-19-12(3)10-13(4)20-18/h10-11,14H,5-9H2,1-4H3,(H2,21,22,23,24,26)
InChIKeyOHDUQOOCZXAJDI-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.27
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide (PubChem CID 71708821) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
PubChem CID71708821
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(CC(C)C)n3)CC2)n1
InChIInChI=1S/C18H27N7O/c1-11(2)9-15-21-17(24-23-15)22-16(26)14-5-7-25(8-6-14)18-19-12(3)10-13(4)20-18/h10-11,14H,5-9H2,1-4H3,(H2,21,22,23,24,26)
InChIKeyOHDUQOOCZXAJDI-UHFFFAOYSA-N
XLogP2.27
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-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 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide (CID 71708821) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(CC(C)C)n3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
The InChIKey is OHDUQOOCZXAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-11(2)9-15-21-17(24-23-15)22-16(26)14-5-7-25(8-6-14)18-19-12(3)10-13(4)20-18/h10-11,14H,5-9H2,1-4H3,(H2,21,22,23,24,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71708821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).