2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile

C15H10N4O2 — CID 24693520

IUPAC2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
SMILESCN1C(=O)c2ccc(Nc3ncccc3C#N)cc2C1=O
InChIInChI=1S/C15H10N4O2/c1-19-14(20)11-5-4-10(7-12(11)15(19)21)18-13-9(8-16)3-2-6-17-13/h2-7H,1H3,(H,17,18)
InChIKeyCMYTXIAWRIRWHA-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.92
Rot. Bonds2

About 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile

2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 24693520) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID24693520
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
SMILESCN1C(=O)c2ccc(Nc3ncccc3C#N)cc2C1=O
InChIInChI=1S/C15H10N4O2/c1-19-14(20)11-5-4-10(7-12(11)15(19)21)18-13-9(8-16)3-2-6-17-13/h2-7H,1H3,(H,17,18)
InChIKeyCMYTXIAWRIRWHA-UHFFFAOYSA-N
XLogP1.92
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile (CID 24693520) is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile is CN1C(=O)c2ccc(Nc3ncccc3C#N)cc2C1=O.
What is the InChIKey of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is CMYTXIAWRIRWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-19-14(20)11-5-4-10(7-12(11)15(19)21)18-13-9(8-16)3-2-6-17-13/h2-7H,1H3,(H,17,18).
What are the key properties of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile?
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24693520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).