6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile

C14H16N4O — CID 107072974

IUPAC6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1cncn1C(C)C
InChIInChI=1S/C14H16N4O/c1-10(2)18-9-16-7-13(18)8-17-11(3)4-5-12(6-15)14(17)19/h4-5,7,9-10H,8H2,1-3H3
InChIKeyJLHNOJLKPVSGMG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.85
Rot. Bonds3

About 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile

6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile (PubChem CID 107072974) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile
PubChem CID107072974
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1cncn1C(C)C
InChIInChI=1S/C14H16N4O/c1-10(2)18-9-16-7-13(18)8-17-11(3)4-5-12(6-15)14(17)19/h4-5,7,9-10H,8H2,1-3H3
InChIKeyJLHNOJLKPVSGMG-UHFFFAOYSA-N
XLogP1.85
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile (CID 107072974) is 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1Cc1cncn1C(C)C.
What is the InChIKey of 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is JLHNOJLKPVSGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(2)18-9-16-7-13(18)8-17-11(3)4-5-12(6-15)14(17)19/h4-5,7,9-10H,8H2,1-3H3.
What are the key properties of 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile?
6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 107072974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).