4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C24H24N4O — CID 90837777

IUPAC4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cccc(C)c32)ccc1NCCc1ccccn1
InChIInChI=1S/C24H24N4O/c1-16-6-5-8-22-23(16)20(24(29)28-22)15-27-19-9-10-21(17(2)14-19)26-13-11-18-7-3-4-12-25-18/h3-10,12,14-15,20,26H,11,13H2,1-2H3,(H,28,29)/b27-15+
InChIKeyKPCTYHAUXBMYDY-JFLMPSFJSA-N
MW384.48 g/mol
LogP4.79
Rot. Bonds6

About 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90837777) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90837777
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cccc(C)c32)ccc1NCCc1ccccn1
InChIInChI=1S/C24H24N4O/c1-16-6-5-8-22-23(16)20(24(29)28-22)15-27-19-9-10-21(17(2)14-19)26-13-11-18-7-3-4-12-25-18/h3-10,12,14-15,20,26H,11,13H2,1-2H3,(H,28,29)/b27-15+
InChIKeyKPCTYHAUXBMYDY-JFLMPSFJSA-N
XLogP4.79
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
CID 91553444
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
3-methyl-4-(2-pyridin-2-ylethylamino)benzenecarbothioamide
CID 54934528
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91411132
2-methyl-N-(3-pyridin-2-ylpropyl)aniline
CID 83456107
6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43193701
7-amino-6-(2-pyridin-2-ylethylamino)-4H-1,4-benzoxazin-3-one
CID 43479162
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90837777) is 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(/N=C/C2C(=O)Nc3cccc(C)c32)ccc1NCCc1ccccn1.
What is the InChIKey of 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is KPCTYHAUXBMYDY-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-6-5-8-22-23(16)20(24(29)28-22)15-27-19-9-10-21(17(2)14-19)26-13-11-18-7-3-4-12-25-18/h3-10,12,14-15,20,26H,11,13H2,1-2H3,(H,28,29)/b27-15+.
What are the key properties of 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-methyl-4-(2-pyridin-2-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90837777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).