3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile

C15H10N4O2 — CID 62893908

IUPAC3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H10N4O2/c16-7-12-9(3-2-6-18-12)8-19-14(20)10-4-1-5-11(17)13(10)15(19)21/h1-6H,8,17H2
InChIKeyHWZPOQVRYXPDCN-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.33
Rot. Bonds2

About 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile

3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile (PubChem CID 62893908) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile
PubChem CID62893908
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H10N4O2/c16-7-12-9(3-2-6-18-12)8-19-14(20)10-4-1-5-11(17)13(10)15(19)21/h1-6H,8,17H2
InChIKeyHWZPOQVRYXPDCN-UHFFFAOYSA-N
XLogP1.33
TPSA100.08 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile (CID 62893908) is 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is HWZPOQVRYXPDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-7-12-9(3-2-6-18-12)8-19-14(20)10-4-1-5-11(17)13(10)15(19)21/h1-6H,8,17H2.
What are the key properties of 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile?
3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).