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

C22H25N4O2+ — CID 134149656

IUPACN-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
SMILESCc1c2c[n+](C)ccc2c(C(=O)NCCOCCN)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H24N4O2/c1-14-17-13-26(2)10-7-15(17)20(22(27)24-9-12-28-11-8-23)21-19(14)16-5-3-4-6-18(16)25-21/h3-7,10,13H,8-9,11-12,23H2,1-2H3,(H,24,27)/p+1
InChIKeyDEWRVIILPCIJLE-UHFFFAOYSA-O
MW377.47 g/mol
LogP2.31
Rot. Bonds6

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

N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide (PubChem CID 134149656) has the molecular formula C22H25N4O2+ and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
PubChem CID134149656
Molecular FormulaC22H25N4O2+
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
SMILESCc1c2c[n+](C)ccc2c(C(=O)NCCOCCN)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H24N4O2/c1-14-17-13-26(2)10-7-15(17)20(22(27)24-9-12-28-11-8-23)21-19(14)16-5-3-4-6-18(16)25-21/h3-7,10,13H,8-9,11-12,23H2,1-2H3,(H,24,27)/p+1
InChIKeyDEWRVIILPCIJLE-UHFFFAOYSA-O
XLogP2.31
TPSA84.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134156652
2,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134152658
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
CID 134139601
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
2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
CID 90682276
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
CID 161443483
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 121241710
N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
CID 10615090
5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
CID 71341368

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide (CID 134149656) is N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide is Cc1c2c[n+](C)ccc2c(C(=O)NCCOCCN)c2[nH]c3ccccc3c12.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide?
The InChIKey is DEWRVIILPCIJLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N4O2/c1-14-17-13-26(2)10-7-15(17)20(22(27)24-9-12-28-11-8-23)21-19(14)16-5-3-4-6-18(16)25-21/h3-7,10,13H,8-9,11-12,23H2,1-2H3,(H,24,27)/p+1.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide?
N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide is sourced from PubChem (CID 134149656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).