N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide

C18H26N6O — CID 2999367

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC(C)C2)n1
InChIInChI=1S/C18H26N6O/c1-12-6-5-7-23(10-12)11-17(25)21-16-9-15(4)22-24(16)18-19-13(2)8-14(3)20-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,25)
InChIKeyTUKJUCZAFDTDPZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 2999367) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID2999367
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC(C)C2)n1
InChIInChI=1S/C18H26N6O/c1-12-6-5-7-23(10-12)11-17(25)21-16-9-15(4)22-24(16)18-19-13(2)8-14(3)20-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,25)
InChIKeyTUKJUCZAFDTDPZ-UHFFFAOYSA-N
XLogP2.26
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide 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-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide (CID 2999367) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC(C)C2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is TUKJUCZAFDTDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-6-5-7-23(10-12)11-17(25)21-16-9-15(4)22-24(16)18-19-13(2)8-14(3)20-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2999367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).