2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide

C23H25N3O — CID 46989307

IUPAC2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESCc1cccn2c(CC(=O)N(CC#Cc3ccccc3)CC(C)C)cnc12
InChIInChI=1S/C23H25N3O/c1-18(2)17-25(13-8-12-20-10-5-4-6-11-20)22(27)15-21-16-24-23-19(3)9-7-14-26(21)23/h4-7,9-11,14,16,18H,13,15,17H2,1-3H3
InChIKeyJPMHIXNNZWIWGV-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.72
Rot. Bonds5

About 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide

2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 46989307) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID46989307
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESCc1cccn2c(CC(=O)N(CC#Cc3ccccc3)CC(C)C)cnc12
InChIInChI=1S/C23H25N3O/c1-18(2)17-25(13-8-12-20-10-5-4-6-11-20)22(27)15-21-16-24-23-19(3)9-7-14-26(21)23/h4-7,9-11,14,16,18H,13,15,17H2,1-3H3
InChIKeyJPMHIXNNZWIWGV-UHFFFAOYSA-N
XLogP3.72
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide (CID 46989307) is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide is Cc1cccn2c(CC(=O)N(CC#Cc3ccccc3)CC(C)C)cnc12.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is JPMHIXNNZWIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18(2)17-25(13-8-12-20-10-5-4-6-11-20)22(27)15-21-16-24-23-19(3)9-7-14-26(21)23/h4-7,9-11,14,16,18H,13,15,17H2,1-3H3.
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide?
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 46989307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).