6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile

C13H11N3O — CID 10082379

IUPAC6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cnccc1-c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C13H11N3O/c1-8-7-15-4-3-11(8)12-5-10(6-14)13(17)16-9(12)2/h3-5,7H,1-2H3,(H,16,17)
InChIKeyDJIVFYYAGSEEHN-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds1

About 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10082379) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10082379
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cnccc1-c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C13H11N3O/c1-8-7-15-4-3-11(8)12-5-10(6-14)13(17)16-9(12)2/h3-5,7H,1-2H3,(H,16,17)
InChIKeyDJIVFYYAGSEEHN-UHFFFAOYSA-N
XLogP1.93
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 10082379) is 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1cnccc1-c1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DJIVFYYAGSEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-7-15-4-3-11(8)12-5-10(6-14)13(17)16-9(12)2/h3-5,7H,1-2H3,(H,16,17).
What are the key properties of 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10082379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).