6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine

C17H19N3 — CID 70354179

IUPAC6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine
SMILESCCCCCc1cc2c(c3c1=CN=CC=N3)CC=CN=2
InChIInChI=1S/C17H19N3/c1-2-3-4-6-13-11-16-14(7-5-8-19-16)17-15(13)12-18-9-10-20-17/h5,8-12H,2-4,6-7H2,1H3
InChIKeyWNZWKSIFPUXSCG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.63
Rot. Bonds4

About 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine

6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine (PubChem CID 70354179) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine.

Molecular Properties

Compound Name6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine
PubChem CID70354179
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine
SMILESCCCCCc1cc2c(c3c1=CN=CC=N3)CC=CN=2
InChIInChI=1S/C17H19N3/c1-2-3-4-6-13-11-16-14(7-5-8-19-16)17-15(13)12-18-9-10-20-17/h5,8-12H,2-4,6-7H2,1H3
InChIKeyWNZWKSIFPUXSCG-UHFFFAOYSA-N
XLogP2.63
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine?
The IUPAC name of 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine (CID 70354179) is 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine.
What is the SMILES notation for 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine?
The canonical SMILES for 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine is CCCCCc1cc2c(c3c1=CN=CC=N3)CC=CN=2.
What is the InChIKey of 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine?
The InChIKey is WNZWKSIFPUXSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-3-4-6-13-11-16-14(7-5-8-19-16)17-15(13)12-18-9-10-20-17/h5,8-12H,2-4,6-7H2,1H3.
What are the key properties of 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine?
6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine has a molecular weight of 265.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine is sourced from PubChem (CID 70354179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).