3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium

C21H23N4O+ — CID 101148656

IUPAC3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium
SMILESCc1c2cn(C)ccc2c(C(=O)NCCC[NH3+])c2nc3ccccc3c12
InChIInChI=1S/C21H22N4O/c1-13-16-12-25(2)11-8-14(16)19(21(26)23-10-5-9-22)20-18(13)15-6-3-4-7-17(15)24-20/h3-4,6-8,11-12H,5,9-10,22H2,1-2H3,(H,23,26)/p+1
InChIKeyRKMPHMLDVRRHFF-UHFFFAOYSA-O
MW347.44 g/mol
LogP2.55
Rot. Bonds4

About 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium

3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium (PubChem CID 101148656) has the molecular formula C21H23N4O+ and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium.

Molecular Properties

Compound Name3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium
PubChem CID101148656
Molecular FormulaC21H23N4O+
Molecular Weight347.44 g/mol
Exact Mass347.19
IUPAC Name3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium
SMILESCc1c2cn(C)ccc2c(C(=O)NCCC[NH3+])c2nc3ccccc3c12
InChIInChI=1S/C21H22N4O/c1-13-16-12-25(2)11-8-14(16)19(21(26)23-10-5-9-22)20-18(13)15-6-3-4-7-17(15)24-20/h3-4,6-8,11-12H,5,9-10,22H2,1-2H3,(H,23,26)/p+1
InChIKeyRKMPHMLDVRRHFF-UHFFFAOYSA-O
XLogP2.55
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium 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

N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride
CID 12000875
2,11-dimethyl-N-[3-[[methyl(nitroso)carbamoyl]amino]propyl]pyrido[4,3-b]carbazole-5-carboxamide;hydrochloride
CID 12000957
N-(5,5-dimethylhexyl)acridine-9-carboxamide
CID 88589115
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
N-butyl-1-methylpyrrole-3-carboxamide
CID 110762618

Frequently Asked Questions

What is the IUPAC name of 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium?
The IUPAC name of 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium (CID 101148656) is 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium.
What is the SMILES notation for 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium?
The canonical SMILES for 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium is Cc1c2cn(C)ccc2c(C(=O)NCCC[NH3+])c2nc3ccccc3c12.
What is the InChIKey of 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium?
The InChIKey is RKMPHMLDVRRHFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N4O/c1-13-16-12-25(2)11-8-14(16)19(21(26)23-10-5-9-22)20-18(13)15-6-3-4-7-17(15)24-20/h3-4,6-8,11-12H,5,9-10,22H2,1-2H3,(H,23,26)/p+1.
What are the key properties of 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium?
3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium has a molecular weight of 347.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,11-dimethylpyrido[4,3-b]carbazole-5-carbonyl)amino]propylazanium is sourced from PubChem (CID 101148656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).