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

C18H26N6O — CID 2334604

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C)CC2)n1
InChIInChI=1S/C18H26N6O/c1-12-5-7-23(8-6-12)11-17(25)21-16-10-15(4)22-24(16)18-19-13(2)9-14(3)20-18/h9-10,12H,5-8,11H2,1-4H3,(H,21,25)
InChIKeyLHBKDAXVWWQCGB-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.26
Rot. Bonds4

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 2334604) 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-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID2334604
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C)CC2)n1
InChIInChI=1S/C18H26N6O/c1-12-5-7-23(8-6-12)11-17(25)21-16-10-15(4)22-24(16)18-19-13(2)9-14(3)20-18/h9-10,12H,5-8,11H2,1-4H3,(H,21,25)
InChIKeyLHBKDAXVWWQCGB-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

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 879239
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide
CID 24989637
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653906
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2387118
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 2997733
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 2999367
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
CID 25207956
N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25210254
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide
CID 25210255
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]acetamide
CID 25210256
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
CID 44581866

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide (CID 2334604) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C)CC2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is LHBKDAXVWWQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-5-7-23(8-6-12)11-17(25)21-16-10-15(4)22-24(16)18-19-13(2)9-14(3)20-18/h9-10,12H,5-8,11H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-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-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2334604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).