N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride

C21H23ClN4O — CID 12000875

IUPACN-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride
SMILESCc1c2cn(C)ccc2c(C(=O)NCCCN)c2nc3ccccc3c12.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
LogP3.69
Rot. Bonds4

About N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride

N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride (PubChem CID 12000875) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride
PubChem CID12000875
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride
SMILESCc1c2cn(C)ccc2c(C(=O)NCCCN)c2nc3ccccc3c12.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
XLogP3.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride (CID 12000875) is N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride is Cc1c2cn(C)ccc2c(C(=O)NCCCN)c2nc3ccccc3c12.Cl.
What is the InChIKey of N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride?
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-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride?
N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride has a molecular weight of 382.90 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,11-dimethylpyrido[4,3-b]carbazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 12000875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).