2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide

C31H27N3O3 — CID 10624896

IUPAC2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCc3ccncc3)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C31H27N3O3/c1-2-24-26(19-23-11-6-7-12-25(23)22-9-4-3-5-10-22)34-18-8-13-27(29(34)28(24)30(35)31(32)36)37-20-21-14-16-33-17-15-21/h3-18H,2,19-20H2,1H3,(H2,32,36)
InChIKeyNJSSZEIASOURIM-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.40
Rot. Bonds9

About 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide

2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (PubChem CID 10624896) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
PubChem CID10624896
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC Name2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCc3ccncc3)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C31H27N3O3/c1-2-24-26(19-23-11-6-7-12-25(23)22-9-4-3-5-10-22)34-18-8-13-27(29(34)28(24)30(35)31(32)36)37-20-21-14-16-33-17-15-21/h3-18H,2,19-20H2,1H3,(H2,32,36)
InChIKeyNJSSZEIASOURIM-UHFFFAOYSA-N
XLogP5.40
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.40
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-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (CID 10624896) is 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCc3ccncc3)cccn2c1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
The InChIKey is NJSSZEIASOURIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O3/c1-2-24-26(19-23-11-6-7-12-25(23)22-9-4-3-5-10-22)34-18-8-13-27(29(34)28(24)30(35)31(32)36)37-20-21-14-16-33-17-15-21/h3-18H,2,19-20H2,1H3,(H2,32,36).
What are the key properties of 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?
2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide has a molecular weight of 489.58 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-[(2-phenylphenyl)methyl]-8-(pyridin-4-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 10624896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).