3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile

C13H14N4O — CID 80581155

IUPAC3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)n1ccn(Cc2cccnc2C#N)c1=O
InChIInChI=1S/C13H14N4O/c1-10(2)17-7-6-16(13(17)18)9-11-4-3-5-15-12(11)8-14/h3-7,10H,9H2,1-2H3
InChIKeyWXFAUZUKRICHPT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.55
Rot. Bonds3

About 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile

3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 80581155) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID80581155
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)n1ccn(Cc2cccnc2C#N)c1=O
InChIInChI=1S/C13H14N4O/c1-10(2)17-7-6-16(13(17)18)9-11-4-3-5-15-12(11)8-14/h3-7,10H,9H2,1-2H3
InChIKeyWXFAUZUKRICHPT-UHFFFAOYSA-N
XLogP1.55
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 80581912
3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63205796
1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579624
3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 113421128
2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetonitrile
CID 80581156
3-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]pyridine-2-carbonitrile
CID 63271172
1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile
CID 107919175
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
CID 102685743
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile
CID 83174077
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-[(5-nitro-2,4-dioxopyrimidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63812432

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile (CID 80581155) is 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile is CC(C)n1ccn(Cc2cccnc2C#N)c1=O.
What is the InChIKey of 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is WXFAUZUKRICHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10(2)17-7-6-16(13(17)18)9-11-4-3-5-15-12(11)8-14/h3-7,10H,9H2,1-2H3.
What are the key properties of 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 80581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).