N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C19H28N6O2 — CID 135802704

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c(C)c1C
InChIInChI=1S/C19H28N6O2/c1-11-14(4)23-25(15(11)5)10-17(26)21-16-6-8-24(9-7-16)19-20-13(3)12(2)18(27)22-19/h16H,6-10H2,1-5H3,(H,21,26)(H,20,22,27)
InChIKeyZIIFKUJHINAGDR-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 135802704) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID135802704
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c(C)c1C
InChIInChI=1S/C19H28N6O2/c1-11-14(4)23-25(15(11)5)10-17(26)21-16-6-8-24(9-7-16)19-20-13(3)12(2)18(27)22-19/h16H,6-10H2,1-5H3,(H,21,26)(H,20,22,27)
InChIKeyZIIFKUJHINAGDR-UHFFFAOYSA-N
XLogP1.29
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 135802704) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c(C)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is ZIIFKUJHINAGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-11-14(4)23-25(15(11)5)10-17(26)21-16-6-8-24(9-7-16)19-20-13(3)12(2)18(27)22-19/h16H,6-10H2,1-5H3,(H,21,26)(H,20,22,27).
What are the key properties of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 135802704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).