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

C18H21N5 — CID 15654859

IUPAC11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine
SMILESCN1CCN(C2=Nc3cccnc3N(C)c3ccccc32)CC1
InChIInChI=1S/C18H21N5/c1-21-10-12-23(13-11-21)17-14-6-3-4-8-16(14)22(2)18-15(20-17)7-5-9-19-18/h3-9H,10-13H2,1-2H3
InChIKeyWUASVKNSQAYQRW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.49
Rot. Bonds

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

11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 15654859) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine
PubChem CID15654859
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine
SMILESCN1CCN(C2=Nc3cccnc3N(C)c3ccccc32)CC1
InChIInChI=1S/C18H21N5/c1-21-10-12-23(13-11-21)17-14-6-3-4-8-16(14)22(2)18-15(20-17)7-5-9-19-18/h3-9H,10-13H2,1-2H3
InChIKeyWUASVKNSQAYQRW-UHFFFAOYSA-N
XLogP2.49
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Esmirtazapine
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[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
2,2'-((Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl)bis(methylene))bis(N,N-dimethylbenzenamine)
CID 421610
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
CID 3802
N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 4566836

Frequently Asked Questions

What is the IUPAC name of 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine (CID 15654859) is 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine is CN1CCN(C2=Nc3cccnc3N(C)c3ccccc32)CC1.
What is the InChIKey of 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is WUASVKNSQAYQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-21-10-12-23(13-11-21)17-14-6-3-4-8-16(14)22(2)18-15(20-17)7-5-9-19-18/h3-9H,10-13H2,1-2H3.
What are the key properties of 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine?
11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 307.40 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 15654859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).