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

C17H18N6O2 — CID 25138078

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
InChIKeyZPOFECDYIXUBJD-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.31
Rot. Bonds4

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide (PubChem CID 25138078) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide
PubChem CID25138078
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
InChIKeyZPOFECDYIXUBJD-UHFFFAOYSA-N
XLogP2.31
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide (CID 25138078) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide is COc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
The InChIKey is ZPOFECDYIXUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 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-methoxy-3-pyridinyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).