N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide

C24H17N3O5 — CID 127252794

IUPACN-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide
SMILESCOc1ccc2c3c(n(NC(=O)c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O
InChIInChI=1S/C24H17N3O5/c1-31-17-10-9-16-18-20(14-7-3-4-8-15(14)21(18)28)27(24(30)19(16)22(17)32-2)26-23(29)13-6-5-11-25-12-13/h3-12H,1-2H3,(H,26,29)
InChIKeyUFYFYQOKHQRUMF-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.01
Rot. Bonds4

About N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide

N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide (PubChem CID 127252794) has the molecular formula C24H17N3O5 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide
PubChem CID127252794
Molecular FormulaC24H17N3O5
Molecular Weight427.42 g/mol
Exact Mass427.12
IUPAC NameN-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide
SMILESCOc1ccc2c3c(n(NC(=O)c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O
InChIInChI=1S/C24H17N3O5/c1-31-17-10-9-16-18-20(14-7-3-4-8-15(14)21(18)28)27(24(30)19(16)22(17)32-2)26-23(29)13-6-5-11-25-12-13/h3-12H,1-2H3,(H,26,29)
InChIKeyUFYFYQOKHQRUMF-UHFFFAOYSA-N
XLogP3.01
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide (CID 127252794) is N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide is COc1ccc2c3c(n(NC(=O)c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O.
What is the InChIKey of N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is UFYFYQOKHQRUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5/c1-31-17-10-9-16-18-20(14-7-3-4-8-15(14)21(18)28)27(24(30)19(16)22(17)32-2)26-23(29)13-6-5-11-25-12-13/h3-12H,1-2H3,(H,26,29).
What are the key properties of N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide?
N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 127252794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).