2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C23H24N4O2 — CID 66952813

IUPAC2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccncc3)c1)CC(C)(C)CC2=O
InChIInChI=1S/C23H24N4O2/c1-14-10-18-20(12-23(2,3)13-21(18)28)27(14)16-4-5-17(22(24)29)19(11-16)26-15-6-8-25-9-7-15/h4-11H,12-13H2,1-3H3,(H2,24,29)(H,25,26)
InChIKeyFFGAZJOPPFAMIA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.18
Rot. Bonds4

About 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 66952813) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID66952813
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccncc3)c1)CC(C)(C)CC2=O
InChIInChI=1S/C23H24N4O2/c1-14-10-18-20(12-23(2,3)13-21(18)28)27(14)16-4-5-17(22(24)29)19(11-16)26-15-6-8-25-9-7-15/h4-11H,12-13H2,1-3H3,(H2,24,29)(H,25,26)
InChIKeyFFGAZJOPPFAMIA-UHFFFAOYSA-N
XLogP4.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 66952813) is 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccncc3)c1)CC(C)(C)CC2=O.
What is the InChIKey of 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is FFGAZJOPPFAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-10-18-20(12-23(2,3)13-21(18)28)27(14)16-4-5-17(22(24)29)19(11-16)26-15-6-8-25-9-7-15/h4-11H,12-13H2,1-3H3,(H2,24,29)(H,25,26).
What are the key properties of 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 66952813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).