6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine

C17H19N5 — CID 15654854

IUPAC6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCN1CCN(C2=Nc3cccnc3Nc3ccccc32)CC1
InChIInChI=1S/C17H19N5/c1-21-9-11-22(12-10-21)17-13-5-2-3-6-14(13)19-16-15(20-17)7-4-8-18-16/h2-8H,9-12H2,1H3,(H,18,19)
InChIKeyNKJVNGZDNDSXJO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.46
Rot. Bonds

About 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine

6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 15654854) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine
PubChem CID15654854
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCN1CCN(C2=Nc3cccnc3Nc3ccccc32)CC1
InChIInChI=1S/C17H19N5/c1-21-9-11-22(12-10-21)17-13-5-2-3-6-14(13)19-16-15(20-17)7-4-8-18-16/h2-8H,9-12H2,1H3,(H,18,19)
InChIKeyNKJVNGZDNDSXJO-UHFFFAOYSA-N
XLogP2.46
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine (CID 15654854) is 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine is CN1CCN(C2=Nc3cccnc3Nc3ccccc32)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is NKJVNGZDNDSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-9-11-22(12-10-21)17-13-5-2-3-6-14(13)19-16-15(20-17)7-4-8-18-16/h2-8H,9-12H2,1H3,(H,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 293.37 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 15654854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).