2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide

C24H22N4O — CID 27877008

IUPAC2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1ccccn1
InChIInChI=1S/C24H22N4O/c1-17(22-13-8-9-15-25-22)26-27-24(29)16-21-18(2)28(19-10-4-3-5-11-19)23-14-7-6-12-20(21)23/h3-15H,16H2,1-2H3,(H,27,29)/b26-17+
InChIKeyXLISXQFGWJRYHG-YZSQISJMSA-N
MW382.47 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide

2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide (PubChem CID 27877008) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide
PubChem CID27877008
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1ccccn1
InChIInChI=1S/C24H22N4O/c1-17(22-13-8-9-15-25-22)26-27-24(29)16-21-18(2)28(19-10-4-3-5-11-19)23-14-7-6-12-20(21)23/h3-15H,16H2,1-2H3,(H,27,29)/b26-17+
InChIKeyXLISXQFGWJRYHG-YZSQISJMSA-N
XLogP4.42
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide (CID 27877008) is 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1ccccn1.
What is the InChIKey of 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
The InChIKey is XLISXQFGWJRYHG-YZSQISJMSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17(22-13-8-9-15-25-22)26-27-24(29)16-21-18(2)28(19-10-4-3-5-11-19)23-14-7-6-12-20(21)23/h3-15H,16H2,1-2H3,(H,27,29)/b26-17+.
What are the key properties of 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide has a molecular weight of 382.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylindol-3-yl)-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide is sourced from PubChem (CID 27877008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).