1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

C23H26N4O — CID 5024265

IUPAC1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)Nc2cc3cccnc3c3ncccc23)C1
InChIInChI=1S/C23H26N4O/c1-22(2)11-16-12-23(3,13-22)14-27(16)21(28)26-18-10-15-6-4-8-24-19(15)20-17(18)7-5-9-25-20/h4-10,16H,11-14H2,1-3H3,(H,26,28)
InChIKeyCSZQGCIVFHHCNM-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.22
Rot. Bonds1

About 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 5024265) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID5024265
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)Nc2cc3cccnc3c3ncccc23)C1
InChIInChI=1S/C23H26N4O/c1-22(2)11-16-12-23(3,13-22)14-27(16)21(28)26-18-10-15-6-4-8-24-19(15)20-17(18)7-5-9-25-20/h4-10,16H,11-14H2,1-3H3,(H,26,28)
InChIKeyCSZQGCIVFHHCNM-UHFFFAOYSA-N
XLogP5.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1R,5R)-N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98141713
N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide
CID 102048380
(1S,5R)-1,3,3-trimethyl-N-(2-methyl-5-methylsulfonylphenyl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 74240251
N-(furan-2-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108868530
[2-chloro-4-(2,5-dichloro-4-quinolin-8-ylphenyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 46890262
(1S,5S)-N-(2,1,3-benzothiadiazol-5-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98192631
4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-oxo-N-(1,10-phenanthrolin-5-yl)butanamide
CID 91324787
1,3,3-trimethyl-N-(1,2,5-thiadiazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5001141
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 3792955
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
2-oxo-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108520035
ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
CID 144761202

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 5024265) is 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)Nc2cc3cccnc3c3ncccc23)C1.
What is the InChIKey of 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is CSZQGCIVFHHCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-22(2)11-16-12-23(3,13-22)14-27(16)21(28)26-18-10-15-6-4-8-24-19(15)20-17(18)7-5-9-25-20/h4-10,16H,11-14H2,1-3H3,(H,26,28).
What are the key properties of 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 5024265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).