2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide

C17H16N4O — CID 25345476

IUPAC2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H16N4O/c1-13-5-2-3-6-14(13)11-17(22)20-15-7-8-16(18-12-15)21-10-4-9-19-21/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyMHMKDMQPIUSTQT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide

2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide (PubChem CID 25345476) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
PubChem CID25345476
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H16N4O/c1-13-5-2-3-6-14(13)11-17(22)20-15-7-8-16(18-12-15)21-10-4-9-19-21/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyMHMKDMQPIUSTQT-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide (CID 25345476) is 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
The InChIKey is MHMKDMQPIUSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-5-2-3-6-14(13)11-17(22)20-15-7-8-16(18-12-15)21-10-4-9-19-21/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 25345476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).