2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide

C26H21N5O — CID 54580506

IUPAC2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H21N5O/c1-18-7-5-11-24(28-18)26-22(19-12-13-23-20(15-19)8-6-14-27-23)16-31(30-26)17-25(32)29-21-9-3-2-4-10-21/h2-16H,17H2,1H3,(H,29,32)
InChIKeyZSGPHLSZCUTUHQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.11
Rot. Bonds5

About 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide

2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide (PubChem CID 54580506) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide
PubChem CID54580506
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H21N5O/c1-18-7-5-11-24(28-18)26-22(19-12-13-23-20(15-19)8-6-14-27-23)16-31(30-26)17-25(32)29-21-9-3-2-4-10-21/h2-16H,17H2,1H3,(H,29,32)
InChIKeyZSGPHLSZCUTUHQ-UHFFFAOYSA-N
XLogP5.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
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4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 10469233

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide (CID 54580506) is 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide?
The InChIKey is ZSGPHLSZCUTUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-18-7-5-11-24(28-18)26-22(19-12-13-23-20(15-19)8-6-14-27-23)16-31(30-26)17-25(32)29-21-9-3-2-4-10-21/h2-16H,17H2,1H3,(H,29,32).
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide?
2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide has a molecular weight of 419.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 54580506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).