2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium

C22H24N5+ — CID 121242027

IUPAC2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
SMILESCc1c2cc[n+](CCCCCN=[N+]=[N-])cc2c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H23N5/c1-15-19-14-27(12-7-3-6-11-24-26-23)13-10-17(19)16(2)22-21(15)18-8-4-5-9-20(18)25-22/h4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3/p+1
InChIKeyAVVOZHPFCYZSQB-UHFFFAOYSA-O
MW358.47 g/mol
LogP5.86
Rot. Bonds6

About 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium

2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium (PubChem CID 121242027) has the molecular formula C22H24N5+ and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium.

Molecular Properties

Compound Name2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
PubChem CID121242027
Molecular FormulaC22H24N5+
Molecular Weight358.47 g/mol
Exact Mass358.20
IUPAC Name2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
SMILESCc1c2cc[n+](CCCCCN=[N+]=[N-])cc2c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H23N5/c1-15-19-14-27(12-7-3-6-11-24-26-23)13-10-17(19)16(2)22-21(15)18-8-4-5-9-20(18)25-22/h4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3/p+1
InChIKeyAVVOZHPFCYZSQB-UHFFFAOYSA-O
XLogP5.86
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
The IUPAC name of 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium (CID 121242027) is 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium.
What is the SMILES notation for 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
The canonical SMILES for 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium is Cc1c2cc[n+](CCCCCN=[N+]=[N-])cc2c(C)c2c1[nH]c1ccccc12.
What is the InChIKey of 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
The InChIKey is AVVOZHPFCYZSQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N5/c1-15-19-14-27(12-7-3-6-11-24-26-23)13-10-17(19)16(2)22-21(15)18-8-4-5-9-20(18)25-22/h4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3/p+1.
What are the key properties of 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium has a molecular weight of 358.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium is sourced from PubChem (CID 121242027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).