N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

C22H24N4O2 — CID 11740258

IUPACN-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCCCN)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C22H24N4O2/c1-13-15-7-10-24-20(22(28)25-9-4-3-8-23)17(15)12-18-16-11-14(27)5-6-19(16)26(2)21(13)18/h5-7,10-12,27H,3-4,8-9,23H2,1-2H3,(H,25,28)
InChIKeyXJLBYBCYXSXIKR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.36
Rot. Bonds5

About N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 11740258) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
PubChem CID11740258
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCCCN)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C22H24N4O2/c1-13-15-7-10-24-20(22(28)25-9-4-3-8-23)17(15)12-18-16-11-14(27)5-6-19(16)26(2)21(13)18/h5-7,10-12,27H,3-4,8-9,23H2,1-2H3,(H,25,28)
InChIKeyXJLBYBCYXSXIKR-UHFFFAOYSA-N
XLogP3.36
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (CID 11740258) is N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NCCCCN)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is XJLBYBCYXSXIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-15-7-10-24-20(22(28)25-9-4-3-8-23)17(15)12-18-16-11-14(27)5-6-19(16)26(2)21(13)18/h5-7,10-12,27H,3-4,8-9,23H2,1-2H3,(H,25,28).
What are the key properties of N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 11740258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).