2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide

C23H16N4O2 — CID 10452355

IUPAC2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESN#Cc1ccc(Cc2cc(C(=O)C(=O)Nc3cccnc3)c3ccccn23)cc1
InChIInChI=1S/C23H16N4O2/c24-14-17-8-6-16(7-9-17)12-19-13-20(21-5-1-2-11-27(19)21)22(28)23(29)26-18-4-3-10-25-15-18/h1-11,13,15H,12H2,(H,26,29)
InChIKeyJQONLINZAWDFDM-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.62
Rot. Bonds5

About 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide

2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide (PubChem CID 10452355) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
PubChem CID10452355
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESN#Cc1ccc(Cc2cc(C(=O)C(=O)Nc3cccnc3)c3ccccn23)cc1
InChIInChI=1S/C23H16N4O2/c24-14-17-8-6-16(7-9-17)12-19-13-20(21-5-1-2-11-27(19)21)22(28)23(29)26-18-4-3-10-25-15-18/h1-11,13,15H,12H2,(H,26,29)
InChIKeyJQONLINZAWDFDM-UHFFFAOYSA-N
XLogP3.62
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide (CID 10452355) is 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide is N#Cc1ccc(Cc2cc(C(=O)C(=O)Nc3cccnc3)c3ccccn23)cc1.
What is the InChIKey of 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The InChIKey is JQONLINZAWDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c24-14-17-8-6-16(7-9-17)12-19-13-20(21-5-1-2-11-27(19)21)22(28)23(29)26-18-4-3-10-25-15-18/h1-11,13,15H,12H2,(H,26,29).
What are the key properties of 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide has a molecular weight of 380.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide is sourced from PubChem (CID 10452355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).