3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile

C11H12N4O — CID 46950432

IUPAC3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile
SMILESCCn1c(=O)n(CCC#N)c2cccnc21
InChIInChI=1S/C11H12N4O/c1-2-14-10-9(5-3-7-13-10)15(11(14)16)8-4-6-12/h3,5,7H,2,4,8H2,1H3
InChIKeySVECGXRTTUHKIB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.13
Rot. Bonds3

About 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile

3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile (PubChem CID 46950432) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile
PubChem CID46950432
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile
SMILESCCn1c(=O)n(CCC#N)c2cccnc21
InChIInChI=1S/C11H12N4O/c1-2-14-10-9(5-3-7-13-10)15(11(14)16)8-4-6-12/h3,5,7H,2,4,8H2,1H3
InChIKeySVECGXRTTUHKIB-UHFFFAOYSA-N
XLogP1.13
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
CID 589729
1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
N-methyl-N-(pyridin-2-yl)acetamide
CID 3786664
6-Bromo-1,3-dimethyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 665048
3-benzyl-2-hydroxy-3H-imidazo[4,5-b]pyridine
CID 910567
1-{2-[2-(Pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10912691
1-(2,2-Dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
CID 51036701
1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one
CID 71456592
1-Methyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 854236
1-(pyridin-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 24834853
Imidazo(1,2-a)pyridine-3-acetonitrile, 2-methyl-
CID 89050

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile?
The IUPAC name of 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile (CID 46950432) is 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile?
The canonical SMILES for 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile is CCn1c(=O)n(CCC#N)c2cccnc21.
What is the InChIKey of 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile?
The InChIKey is SVECGXRTTUHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-14-10-9(5-3-7-13-10)15(11(14)16)8-4-6-12/h3,5,7H,2,4,8H2,1H3.
What are the key properties of 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile?
3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile has a molecular weight of 216.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile is sourced from PubChem (CID 46950432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).