2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde

C23H21N3O2 — CID 144694128

IUPAC2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde
SMILESCNCc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)NC4)nc2C)cc1C=O
InChIInChI=1S/C23H21N3O2/c1-14-20(15-3-5-17(11-24-2)19(9-15)13-27)7-8-22(26-14)16-4-6-18-12-25-23(28)21(18)10-16/h3-10,13,24H,11-12H2,1-2H3,(H,25,28)
InChIKeyFVHRNQSVWHXKQW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.50
Rot. Bonds5

About 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde

2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde (PubChem CID 144694128) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde
PubChem CID144694128
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde
SMILESCNCc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)NC4)nc2C)cc1C=O
InChIInChI=1S/C23H21N3O2/c1-14-20(15-3-5-17(11-24-2)19(9-15)13-27)7-8-22(26-14)16-4-6-18-12-25-23(28)21(18)10-16/h3-10,13,24H,11-12H2,1-2H3,(H,25,28)
InChIKeyFVHRNQSVWHXKQW-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde?
The IUPAC name of 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde (CID 144694128) is 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde?
The canonical SMILES for 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde is CNCc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)NC4)nc2C)cc1C=O.
What is the InChIKey of 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde?
The InChIKey is FVHRNQSVWHXKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-20(15-3-5-17(11-24-2)19(9-15)13-27)7-8-22(26-14)16-4-6-18-12-25-23(28)21(18)10-16/h3-10,13,24H,11-12H2,1-2H3,(H,25,28).
What are the key properties of 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde?
2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde has a molecular weight of 371.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 144694128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).