2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

C17H16N4O — CID 166005884

IUPAC2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCn1cc(-c2cccc(C(C(N)=O)c3ccccc3)n2)cn1
InChIInChI=1S/C17H16N4O/c1-21-11-13(10-19-21)14-8-5-9-15(20-14)16(17(18)22)12-6-3-2-4-7-12/h2-11,16H,1H3,(H2,18,22)
InChIKeyWCMAWVCWLDKECL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.10
Rot. Bonds4

About 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 166005884) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID166005884
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCn1cc(-c2cccc(C(C(N)=O)c3ccccc3)n2)cn1
InChIInChI=1S/C17H16N4O/c1-21-11-13(10-19-21)14-8-5-9-15(20-14)16(17(18)22)12-6-3-2-4-7-12/h2-11,16H,1H3,(H2,18,22)
InChIKeyWCMAWVCWLDKECL-UHFFFAOYSA-N
XLogP2.10
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (CID 166005884) is 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is Cn1cc(-c2cccc(C(C(N)=O)c3ccccc3)n2)cn1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is WCMAWVCWLDKECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-11-13(10-19-21)14-8-5-9-15(20-14)16(17(18)22)12-6-3-2-4-7-12/h2-11,16H,1H3,(H2,18,22).
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 292.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 166005884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).