N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C16H23N7O — CID 90600237

IUPACN-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C16H23N7O/c1-12(2)8-18-16(24)13-3-5-22(6-4-13)14-7-15(20-10-19-14)23-11-17-9-21-23/h7,9-13H,3-6,8H2,1-2H3,(H,18,24)
InChIKeyCBNZHLHJZFIXLG-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.05
Rot. Bonds5

About N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90600237) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90600237
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C16H23N7O/c1-12(2)8-18-16(24)13-3-5-22(6-4-13)14-7-15(20-10-19-14)23-11-17-9-21-23/h7,9-13H,3-6,8H2,1-2H3,(H,18,24)
InChIKeyCBNZHLHJZFIXLG-UHFFFAOYSA-N
XLogP1.05
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-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 N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90600237) is N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is CBNZHLHJZFIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12(2)8-18-16(24)13-3-5-22(6-4-13)14-7-15(20-10-19-14)23-11-17-9-21-23/h7,9-13H,3-6,8H2,1-2H3,(H,18,24).
What are the key properties of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90600237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).