7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine

C14H23N5 — CID 144746657

IUPAC7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine
SMILESCN1CCCNc2nc(N3CCCNCC3)ccc21
InChIInChI=1S/C14H23N5/c1-18-9-3-7-16-14-12(18)4-5-13(17-14)19-10-2-6-15-8-11-19/h4-5,15H,2-3,6-11H2,1H3,(H,16,17)
InChIKeyLWBOCZZEDINLOH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.13
Rot. Bonds1

About 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine

7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine (PubChem CID 144746657) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine
PubChem CID144746657
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine
SMILESCN1CCCNc2nc(N3CCCNCC3)ccc21
InChIInChI=1S/C14H23N5/c1-18-9-3-7-16-14-12(18)4-5-13(17-14)19-10-2-6-15-8-11-19/h4-5,15H,2-3,6-11H2,1H3,(H,16,17)
InChIKeyLWBOCZZEDINLOH-UHFFFAOYSA-N
XLogP1.13
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine with MolForge

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Related Compounds

1-(6-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 79021358
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
CID 121204773
1-[6-(2-methylpropyl)pyridazin-3-yl]-1,4-diazepane
CID 116972621
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
1-(3-methyltriazol-4-yl)-1,4-diazepane
CID 114689941
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 71564074
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine?
The IUPAC name of 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine (CID 144746657) is 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine?
The canonical SMILES for 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine is CN1CCCNc2nc(N3CCCNCC3)ccc21.
What is the InChIKey of 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine?
The InChIKey is LWBOCZZEDINLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-9-3-7-16-14-12(18)4-5-13(17-14)19-10-2-6-15-8-11-19/h4-5,15H,2-3,6-11H2,1H3,(H,16,17).
What are the key properties of 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine?
7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine has a molecular weight of 261.37 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-yl)-1-methyl-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 144746657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).