N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide

C21H24N6O — CID 89216906

IUPACN-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide
SMILESNC1CCC2C(c3ccccn3)=NN=C(c3ccccn3)C2CCC1NC=O
InChIInChI=1S/C21H24N6O/c22-16-9-7-14-15(8-10-17(16)25-13-28)21(19-6-2-4-12-24-19)27-26-20(14)18-5-1-3-11-23-18/h1-6,11-17H,7-10,22H2,(H,25,28)
InChIKeyQUIUARYGZKINJY-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.93
Rot. Bonds4

About N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide

N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide (PubChem CID 89216906) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide.

Molecular Properties

Compound NameN-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide
PubChem CID89216906
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide
SMILESNC1CCC2C(c3ccccn3)=NN=C(c3ccccn3)C2CCC1NC=O
InChIInChI=1S/C21H24N6O/c22-16-9-7-14-15(8-10-17(16)25-13-28)21(19-6-2-4-12-24-19)27-26-20(14)18-5-1-3-11-23-18/h1-6,11-17H,7-10,22H2,(H,25,28)
InChIKeyQUIUARYGZKINJY-UHFFFAOYSA-N
XLogP1.93
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide 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-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide?
The IUPAC name of N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide (CID 89216906) is N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide.
What is the SMILES notation for N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide?
The canonical SMILES for N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide is NC1CCC2C(c3ccccn3)=NN=C(c3ccccn3)C2CCC1NC=O.
What is the InChIKey of N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide?
The InChIKey is QUIUARYGZKINJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c22-16-9-7-14-15(8-10-17(16)25-13-28)21(19-6-2-4-12-24-19)27-26-20(14)18-5-1-3-11-23-18/h1-6,11-17H,7-10,22H2,(H,25,28).
What are the key properties of N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide?
N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide has a molecular weight of 376.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide is sourced from PubChem (CID 89216906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).