N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide

C23H19N3O2 — CID 16097597

IUPACN-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide
SMILESCC1=CC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=C(C=C3)C)C4=CN=CC=C4
InChIInChI=1S/C23H19N3O2/c1-15-5-8-18(9-6-15)25-23(28)22(27)21-20(17-4-3-11-24-13-17)12-19-10-7-16(2)14-26(19)21/h3-14H,1-2H3,(H,25,28)
InChIKeyATZAFKVGJYMMAG-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.80
Rot. Bonds4

About N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide

N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide (PubChem CID 16097597) has the molecular formula C23H19N3O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide
PubChem CID16097597
Molecular FormulaC23H19N3O2
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide
SMILESCC1=CC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=C(C=C3)C)C4=CN=CC=C4
InChIInChI=1S/C23H19N3O2/c1-15-5-8-18(9-6-15)25-23(28)22(27)21-20(17-4-3-11-24-13-17)12-19-10-7-16(2)14-26(19)21/h3-14H,1-2H3,(H,25,28)
InChIKeyATZAFKVGJYMMAG-UHFFFAOYSA-N
XLogP4.80
TPSA63.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity572

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide (CID 16097597) is N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide is CC1=CC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=C(C=C3)C)C4=CN=CC=C4.
What is the InChIKey of N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide?
The InChIKey is ATZAFKVGJYMMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-5-8-18(9-6-15)25-23(28)22(27)21-20(17-4-3-11-24-13-17)12-19-10-7-16(2)14-26(19)21/h3-14H,1-2H3,(H,25,28).
What are the key properties of N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide?
N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide has a molecular weight of 369.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide is sourced from PubChem (CID 16097597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).