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

C22H17N3O3 — CID 10248638

IUPAC2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESO=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(O)cc2)n2ccccc12
InChIInChI=1S/C22H17N3O3/c26-18-8-6-15(7-9-18)12-17-13-19(20-5-1-2-11-25(17)20)21(27)22(28)24-16-4-3-10-23-14-16/h1-11,13-14,26H,12H2,(H,24,28)
InChIKeyJGZKXYWHNVBFJT-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.45
Rot. Bonds5

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

2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide (PubChem CID 10248638) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
PubChem CID10248638
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESO=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(O)cc2)n2ccccc12
InChIInChI=1S/C22H17N3O3/c26-18-8-6-15(7-9-18)12-17-13-19(20-5-1-2-11-25(17)20)21(27)22(28)24-16-4-3-10-23-14-16/h1-11,13-14,26H,12H2,(H,24,28)
InChIKeyJGZKXYWHNVBFJT-UHFFFAOYSA-N
XLogP3.45
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
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-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide (CID 10248638) is 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide is O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(O)cc2)n2ccccc12.
What is the InChIKey of 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The InChIKey is JGZKXYWHNVBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-18-8-6-15(7-9-18)12-17-13-19(20-5-1-2-11-25(17)20)21(27)22(28)24-16-4-3-10-23-14-16/h1-11,13-14,26H,12H2,(H,24,28).
What are the key properties of 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide has a molecular weight of 371.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-hydroxyphenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide is sourced from PubChem (CID 10248638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).