2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile

C11H12N4O — CID 116982488

IUPAC2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile
SMILESCN1C(=O)N(CC#N)CC1c1ccccn1
InChIInChI=1S/C11H12N4O/c1-14-10(9-4-2-3-6-13-9)8-15(7-5-12)11(14)16/h2-4,6,10H,7-8H2,1H3
InChIKeyACBAEGHTKFOYIQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.01
Rot. Bonds2

About 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile

2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile (PubChem CID 116982488) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile
PubChem CID116982488
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile
SMILESCN1C(=O)N(CC#N)CC1c1ccccn1
InChIInChI=1S/C11H12N4O/c1-14-10(9-4-2-3-6-13-9)8-15(7-5-12)11(14)16/h2-4,6,10H,7-8H2,1H3
InChIKeyACBAEGHTKFOYIQ-UHFFFAOYSA-N
XLogP1.01
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438
2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982457
1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one
CID 126696678
3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982515
2-methyl-3-pyridin-2-yl-1,2-oxazolidine
CID 101179409
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine
CID 134984084
4-methyl-3-pyridin-2-ylpiperazin-2-one
CID 168921321
1-(2-aminopropyl)-3-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 116981348
1-ethyl-3-methyl-4-naphthalen-2-ylimidazolidin-2-one
CID 116983099
1-ethyl-4-(2-methoxyphenyl)-3-methylimidazolidin-2-one
CID 116983085

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile?
The IUPAC name of 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile (CID 116982488) is 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile is CN1C(=O)N(CC#N)CC1c1ccccn1.
What is the InChIKey of 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile?
The InChIKey is ACBAEGHTKFOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-14-10(9-4-2-3-6-13-9)8-15(7-5-12)11(14)16/h2-4,6,10H,7-8H2,1H3.
What are the key properties of 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile?
2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile has a molecular weight of 216.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-4-pyridin-2-ylimidazolidin-1-yl)acetonitrile is sourced from PubChem (CID 116982488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).