2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione

C16H15N3O2 — CID 63303668

IUPAC2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESNCCc1ccc(CN2C(=O)c3ccncc3C2=O)cc1
InChIInChI=1S/C16H15N3O2/c17-7-5-11-1-3-12(4-2-11)10-19-15(20)13-6-8-18-9-14(13)16(19)21/h1-4,6,8-9H,5,7,10,17H2
InChIKeyJRKUEOVPFQZILC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.38
Rot. Bonds4

About 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 63303668) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID63303668
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESNCCc1ccc(CN2C(=O)c3ccncc3C2=O)cc1
InChIInChI=1S/C16H15N3O2/c17-7-5-11-1-3-12(4-2-11)10-19-15(20)13-6-8-18-9-14(13)16(19)21/h1-4,6,8-9H,5,7,10,17H2
InChIKeyJRKUEOVPFQZILC-UHFFFAOYSA-N
XLogP1.38
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.38
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

2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
2-[(3-chlorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 3551764
2-[(3-amino-4-methoxyphenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303826
2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 71670235
2-[(2-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930772
2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 66584998
(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one
CID 102425782
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
2-[[4-(2-aminoethyl)phenyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980075
2-(4-chlorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 710862
2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 83030500
2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 81130926

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 63303668) is 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione is NCCc1ccc(CN2C(=O)c3ccncc3C2=O)cc1.
What is the InChIKey of 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is JRKUEOVPFQZILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-7-5-11-1-3-12(4-2-11)10-19-15(20)13-6-8-18-9-14(13)16(19)21/h1-4,6,8-9H,5,7,10,17H2.
What are the key properties of 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 281.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 63303668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).