4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione

C15H13N3O2 — CID 114700741

IUPAC4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione
SMILESCc1cnccc1CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H13N3O2/c1-9-7-17-6-5-10(9)8-18-14(19)11-3-2-4-12(16)13(11)15(18)20/h2-7H,8,16H2,1H3
InChIKeyWSBKMFLPLAQFRD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.77
Rot. Bonds2

About 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione

4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione (PubChem CID 114700741) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione
PubChem CID114700741
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione
SMILESCc1cnccc1CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H13N3O2/c1-9-7-17-6-5-10(9)8-18-14(19)11-3-2-4-12(16)13(11)15(18)20/h2-7H,8,16H2,1H3
InChIKeyWSBKMFLPLAQFRD-UHFFFAOYSA-N
XLogP1.77
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 62135589
3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile
CID 62893908
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione
CID 62128305
4-amino-2-[(5-chloro-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione
CID 107123930
4-amino-2-[(3-aminothiophen-2-yl)methyl]isoindole-1,3-dione
CID 66386937
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
3-methyl-2-(4-methyl-3-pyridinyl)aniline
CID 66714555
2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103430970
4-amino-2-[(5-chlorothiophen-2-yl)methyl]isoindole-1,3-dione
CID 18072803
4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione (CID 114700741) is 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione is Cc1cnccc1CN1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione?
The InChIKey is WSBKMFLPLAQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-7-17-6-5-10(9)8-18-14(19)11-3-2-4-12(16)13(11)15(18)20/h2-7H,8,16H2,1H3.
What are the key properties of 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione?
4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione has a molecular weight of 267.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 114700741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).