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

C16H16N6O — CID 25138073

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccnc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23)
InChIKeyLTWAUSKVHLPSOA-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.30
Rot. Bonds3

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide (PubChem CID 25138073) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide
PubChem CID25138073
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccnc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23)
InChIKeyLTWAUSKVHLPSOA-UHFFFAOYSA-N
XLogP2.30
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide (CID 25138073) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccnc2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide?
The InChIKey is LTWAUSKVHLPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide has a molecular weight of 308.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyridin-3-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).