1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one

C8H7N3O — CID 22051603

IUPAC1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
SMILESO=C1C=CNc2cccnc2N1
InChIInChI=1S/C8H7N3O/c12-7-3-5-9-6-2-1-4-10-8(6)11-7/h1-5,9H,(H,10,11,12)
InChIKeyJQBOAIAQGAIKBN-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.96
Rot. Bonds

About 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one

1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one (PubChem CID 22051603) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
PubChem CID22051603
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
SMILESO=C1C=CNc2cccnc2N1
InChIInChI=1S/C8H7N3O/c12-7-3-5-9-6-2-1-4-10-8(6)11-7/h1-5,9H,(H,10,11,12)
InChIKeyJQBOAIAQGAIKBN-UHFFFAOYSA-N
XLogP0.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1,5-dihydro-1,5-diazocine-2,6-dione
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(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
CID 176990310
8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
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1H-pyrido[3,2-e][1,4]diazepine
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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
The IUPAC name of 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one (CID 22051603) is 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one.
What is the SMILES notation for 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
The canonical SMILES for 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one is O=C1C=CNc2cccnc2N1.
What is the InChIKey of 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
The InChIKey is JQBOAIAQGAIKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-7-3-5-9-6-2-1-4-10-8(6)11-7/h1-5,9H,(H,10,11,12).
What are the key properties of 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one is sourced from PubChem (CID 22051603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).