N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride

C21H23ClN4O — CID 134156652

IUPACN-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
SMILESCc1c2c[n+](C)ccc2c(C(=O)NCCCN)c2[nH]c3ccccc3c12.[Cl-]
InChIInChI=1S/C21H22N4O.ClH/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);1H
InChIKeyDAEBGGTXHVAWHJ-UHFFFAOYSA-N
MW382.90 g/mol
LogP-0.31
Rot. Bonds4

About N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride

N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride (PubChem CID 134156652) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
PubChem CID134156652
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
SMILESCc1c2c[n+](C)ccc2c(C(=O)NCCCN)c2[nH]c3ccccc3c12.[Cl-]
InChIInChI=1S/C21H22N4O.ClH/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);1H
InChIKeyDAEBGGTXHVAWHJ-UHFFFAOYSA-N
XLogP-0.31
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride 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-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
CID 134149656
2,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134152658
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
CID 161443483
methyl 11-methyl-2-[2-[2-[[methyl(nitroso)carbamoyl]amino]ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride
CID 90682287
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
CID 134139601
2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
CID 90682276
5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
CID 158096242
N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride
CID 12000875
N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
CID 10615090
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
CID 75369929
5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
CID 71341368
N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3009464

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride?
The IUPAC name of N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride (CID 134156652) is N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride.
What is the SMILES notation for N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride?
The canonical SMILES for N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride is Cc1c2c[n+](C)ccc2c(C(=O)NCCCN)c2[nH]c3ccccc3c12.[Cl-].
What is the InChIKey of N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride?
The InChIKey is DAEBGGTXHVAWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.ClH/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);1H.
What are the key properties of N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride?
N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride has a molecular weight of 382.90 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride is sourced from PubChem (CID 134156652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).