N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

C18H26N6O — CID 24990393

IUPACN-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CC(C)CC(C)C2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H26N6O/c1-11-6-12(2)10-23(9-11)17-8-16(19-15(5)25)20-18(21-17)24-14(4)7-13(3)22-24/h7-8,11-12H,6,9-10H2,1-5H3,(H,19,20,21,25)
InChIKeySWEFFGPJCUPCHB-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.72
Rot. Bonds3

About N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 24990393) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID24990393
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CC(C)CC(C)C2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H26N6O/c1-11-6-12(2)10-23(9-11)17-8-16(19-15(5)25)20-18(21-17)24-14(4)7-13(3)22-24/h7-8,11-12H,6,9-10H2,1-5H3,(H,19,20,21,25)
InChIKeySWEFFGPJCUPCHB-UHFFFAOYSA-N
XLogP2.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 24990393) is N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(N2CC(C)CC(C)C2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is SWEFFGPJCUPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-11-6-12(2)10-23(9-11)17-8-16(19-15(5)25)20-18(21-17)24-14(4)7-13(3)22-24/h7-8,11-12H,6,9-10H2,1-5H3,(H,19,20,21,25).
What are the key properties of N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24990393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).