2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide

C23H18ClN3O3 — CID 90665865

IUPAC2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESCOc1ccn2c(Cc3ccc(Cl)cc3)cc(C(=O)C(=O)Nc3cccnc3)c2c1
InChIInChI=1S/C23H18ClN3O3/c1-30-19-8-10-27-18(11-15-4-6-16(24)7-5-15)12-20(21(27)13-19)22(28)23(29)26-17-3-2-9-25-14-17/h2-10,12-14H,11H2,1H3,(H,26,29)
InChIKeyNHRHXJXRCHELHS-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.41
Rot. Bonds6

About 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide

2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide (PubChem CID 90665865) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
PubChem CID90665865
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide
SMILESCOc1ccn2c(Cc3ccc(Cl)cc3)cc(C(=O)C(=O)Nc3cccnc3)c2c1
InChIInChI=1S/C23H18ClN3O3/c1-30-19-8-10-27-18(11-15-4-6-16(24)7-5-15)12-20(21(27)13-19)22(28)23(29)26-17-3-2-9-25-14-17/h2-10,12-14H,11H2,1H3,(H,26,29)
InChIKeyNHRHXJXRCHELHS-UHFFFAOYSA-N
XLogP4.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.41
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-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide (CID 90665865) is 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide is COc1ccn2c(Cc3ccc(Cl)cc3)cc(C(=O)C(=O)Nc3cccnc3)c2c1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
The InChIKey is NHRHXJXRCHELHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-30-19-8-10-27-18(11-15-4-6-16(24)7-5-15)12-20(21(27)13-19)22(28)23(29)26-17-3-2-9-25-14-17/h2-10,12-14H,11H2,1H3,(H,26,29).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide?
2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide has a molecular weight of 419.87 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-7-methoxyindolizin-1-yl]-2-oxo-N-pyridin-3-ylacetamide is sourced from PubChem (CID 90665865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).