N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide

C29H24N2O3 — CID 102217092

IUPACN,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C29H24N2O3/c1-4-31(5-2)28(34)23-16(3)30-25-18-12-6-7-13-19(18)26(32)24(25)29(23)21-15-9-11-17-10-8-14-20(22(17)21)27(29)33/h6-15,30H,4-5H2,1-3H3
InChIKeyBVSZMOFNGURWDR-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.63
Rot. Bonds3

About N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide

N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide (PubChem CID 102217092) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide
PubChem CID102217092
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC NameN,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C29H24N2O3/c1-4-31(5-2)28(34)23-16(3)30-25-18-12-6-7-13-19(18)26(32)24(25)29(23)21-15-9-11-17-10-8-14-20(22(17)21)27(29)33/h6-15,30H,4-5H2,1-3H3
InChIKeyBVSZMOFNGURWDR-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

Analyze N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide 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 N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide?
The IUPAC name of N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide (CID 102217092) is N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide is CCN(CC)C(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C12C(=O)c1cccc3cccc2c13.
What is the InChIKey of N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide?
The InChIKey is BVSZMOFNGURWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-4-31(5-2)28(34)23-16(3)30-25-18-12-6-7-13-19(18)26(32)24(25)29(23)21-15-9-11-17-10-8-14-20(22(17)21)27(29)33/h6-15,30H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide?
N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,1'-acenaphthylene]-3-carboxamide is sourced from PubChem (CID 102217092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).