pyrido[2,3-e][1,4]diazepin-2-one

C8H5N3O — CID 91247423

IUPACpyrido[2,3-e][1,4]diazepin-2-one
SMILESO=c1cncc2cccnc2n1
InChIInChI=1S/C8H5N3O/c12-7-5-9-4-6-2-1-3-10-8(6)11-7/h1-5H
InChIKeyILQBGRDKBCEGIA-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.38
Rot. Bonds

About pyrido[2,3-e][1,4]diazepin-2-one

pyrido[2,3-e][1,4]diazepin-2-one (PubChem CID 91247423) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is pyrido[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Namepyrido[2,3-e][1,4]diazepin-2-one
PubChem CID91247423
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Namepyrido[2,3-e][1,4]diazepin-2-one
SMILESO=c1cncc2cccnc2n1
InChIInChI=1S/C8H5N3O/c12-7-5-9-4-6-2-1-3-10-8(6)11-7/h1-5H
InChIKeyILQBGRDKBCEGIA-UHFFFAOYSA-N
XLogP0.38
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1,4-Benzodiazepin-2-one
CID 21864639
8-Oxopyrido[2,3-b]azepine
CID 54484510
1,8-Naphthyrid-7-one
CID 67130986
Pyrrolo[2,3-b]pyridin-2-one
CID 21907087
Pyrido[2,3-b][1,4]benzodiazepin-2-one
CID 67919580
(3E,5E,7E,13E)-2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one
CID 68571996
(3Z,5Z,7Z,13Z)-2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one
CID 68574155
2,11,15,19,21,23-Hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one
CID 68574157
3H-1,8-naphthyridin-2-one;hydrochloride
CID 68891345
Pyrido[2,3-d][1,3]diazepin-2-one
CID 69405963
Pyrimido[5,4-d][1]benzazepin-6-one
CID 87361676
Pyrrolo[2,3-b]pyridin-2-ylidenemethanone
CID 91127600

Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-e][1,4]diazepin-2-one?
The IUPAC name of pyrido[2,3-e][1,4]diazepin-2-one (CID 91247423) is pyrido[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for pyrido[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for pyrido[2,3-e][1,4]diazepin-2-one is O=c1cncc2cccnc2n1.
What is the InChIKey of pyrido[2,3-e][1,4]diazepin-2-one?
The InChIKey is ILQBGRDKBCEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c12-7-5-9-4-6-2-1-3-10-8(6)11-7/h1-5H.
What are the key properties of pyrido[2,3-e][1,4]diazepin-2-one?
pyrido[2,3-e][1,4]diazepin-2-one has a molecular weight of 159.15 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 91247423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).