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

C16H16N6O2 — CID 25138079

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(O)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)
InChIKeyTWPKWYDANODGCY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.01
Rot. Bonds3

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide (PubChem CID 25138079) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide
PubChem CID25138079
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(O)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)
InChIKeyTWPKWYDANODGCY-UHFFFAOYSA-N
XLogP2.01
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide (CID 25138079) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cncc(O)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
The InChIKey is TWPKWYDANODGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-hydroxy-3-pyridinyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).