2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide

C23H20N4O — CID 27876405

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N/N=C(\c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c1-16-20(19-9-5-6-10-21(19)25-16)15-22(28)26-27-23(17-7-3-2-4-8-17)18-11-13-24-14-12-18/h2-14,25H,15H2,1H3,(H,26,28)/b27-23+
InChIKeySBRAYXPLXSROQH-SLEBQGDGSA-N
MW368.44 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide (PubChem CID 27876405) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide
PubChem CID27876405
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N/N=C(\c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c1-16-20(19-9-5-6-10-21(19)25-16)15-22(28)26-27-23(17-7-3-2-4-8-17)18-11-13-24-14-12-18/h2-14,25H,15H2,1H3,(H,26,28)/b27-23+
InChIKeySBRAYXPLXSROQH-SLEBQGDGSA-N
XLogP3.98
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
CID 5082604
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
2-(2-methyl-1H-indol-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31986763
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 56738399
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979349
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide (CID 27876405) is 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide is Cc1[nH]c2ccccc2c1CC(=O)N/N=C(\c1ccccc1)c1ccncc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
The InChIKey is SBRAYXPLXSROQH-SLEBQGDGSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-20(19-9-5-6-10-21(19)25-16)15-22(28)26-27-23(17-7-3-2-4-8-17)18-11-13-24-14-12-18/h2-14,25H,15H2,1H3,(H,26,28)/b27-23+.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide has a molecular weight of 368.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide is sourced from PubChem (CID 27876405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).