pyrido[2,3-d][1,3]diazepin-2-one

C8H5N3O — CID 69405963

IUPACpyrido[2,3-d][1,3]diazepin-2-one
SMILESO=c1nccc2cccnc2n1
InChIInChI=1S/C8H5N3O/c12-8-10-5-3-6-2-1-4-9-7(6)11-8/h1-5H
InChIKeyCTWXUFOJHLHXJQ-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.38
Rot. Bonds

About pyrido[2,3-d][1,3]diazepin-2-one

pyrido[2,3-d][1,3]diazepin-2-one (PubChem CID 69405963) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is pyrido[2,3-d][1,3]diazepin-2-one.

Molecular Properties

Compound Namepyrido[2,3-d][1,3]diazepin-2-one
PubChem CID69405963
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Namepyrido[2,3-d][1,3]diazepin-2-one
SMILESO=c1nccc2cccnc2n1
InChIInChI=1S/C8H5N3O/c12-8-10-5-3-6-2-1-4-9-7(6)11-8/h1-5H
InChIKeyCTWXUFOJHLHXJQ-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

8-Oxopyrido[2,3-b]azepine
CID 54484510
1,8-Naphthyrid-7-one
CID 67130986
Imidazo[5,4-b][1,8]naphthyridin-2-one
CID 129739042
Pyrimido[4,5-b]indol-2-one
CID 21868309
1,3-Benzodiazepin-2-one
CID 22227760
4,6,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1,3,6,8,10,12-hexaen-5-one
CID 66769975
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
3H-1,8-naphthyridin-2-one;hydrochloride
CID 68891345
Pyrido[2,3-e][1,4]diazepin-2-one
CID 91247423
2,5,11-Triazabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
CID 138606329
N-methyl-3-propan-2-ylidenepyridin-2-imine
CID 142275824
(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845486

Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-d][1,3]diazepin-2-one?
The IUPAC name of pyrido[2,3-d][1,3]diazepin-2-one (CID 69405963) is pyrido[2,3-d][1,3]diazepin-2-one.
What is the SMILES notation for pyrido[2,3-d][1,3]diazepin-2-one?
The canonical SMILES for pyrido[2,3-d][1,3]diazepin-2-one is O=c1nccc2cccnc2n1.
What is the InChIKey of pyrido[2,3-d][1,3]diazepin-2-one?
The InChIKey is CTWXUFOJHLHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c12-8-10-5-3-6-2-1-4-9-7(6)11-8/h1-5H.
What are the key properties of pyrido[2,3-d][1,3]diazepin-2-one?
pyrido[2,3-d][1,3]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-d][1,3]diazepin-2-one is sourced from PubChem (CID 69405963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).