2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione

C15H13N3O2 — CID 134117824

IUPAC2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNCc1cccnc1
InChIInChI=1S/C15H13N3O2/c19-14-12-5-1-2-6-13(12)15(20)18(14)10-17-9-11-4-3-7-16-8-11/h1-8,17H,9-10H2
InChIKeyODNODRYBJHOIPZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.42
Rot. Bonds4

About 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione

2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione (PubChem CID 134117824) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione
PubChem CID134117824
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNCc1cccnc1
InChIInChI=1S/C15H13N3O2/c19-14-12-5-1-2-6-13(12)15(20)18(14)10-17-9-11-4-3-7-16-8-11/h1-8,17H,9-10H2
InChIKeyODNODRYBJHOIPZ-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
3-pyridin-3-ylpropyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 78772613
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 113202525
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-yl]carbamic acid
CID 69020733
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione (CID 134117824) is 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CNCc1cccnc1.
What is the InChIKey of 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione?
The InChIKey is ODNODRYBJHOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14-12-5-1-2-6-13(12)15(20)18(14)10-17-9-11-4-3-7-16-8-11/h1-8,17H,9-10H2.
What are the key properties of 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione?
2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione has a molecular weight of 267.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 134117824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).