6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid

C16H13N3O4 — CID 53392432

IUPAC6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1C(=O)c2cccc(CNc3ccc(C(=O)O)cn3)c2C1=O
InChIInChI=1S/C16H13N3O4/c1-19-14(20)11-4-2-3-9(13(11)15(19)21)7-17-12-6-5-10(8-18-12)16(22)23/h2-6,8H,7H2,1H3,(H,17,18)(H,22,23)
InChIKeyUVVXUGHJMOMOHE-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.62
Rot. Bonds4

About 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid

6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 53392432) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID53392432
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1C(=O)c2cccc(CNc3ccc(C(=O)O)cn3)c2C1=O
InChIInChI=1S/C16H13N3O4/c1-19-14(20)11-4-2-3-9(13(11)15(19)21)7-17-12-6-5-10(8-18-12)16(22)23/h2-6,8H,7H2,1H3,(H,17,18)(H,22,23)
InChIKeyUVVXUGHJMOMOHE-UHFFFAOYSA-N
XLogP1.62
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Metanixin
CID 10466908
Nixylic acid
CID 71827
2-[(Pyridin-2-yl)carbamoyl]benzoic acid
CID 671082
2-(Benzylamino)nicotinic acid
CID 214596
1,3-Dioxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 747682
2-(3-Methylpyridin-2-yl)-1,3-dioxoisoindoline-5-carboxylic acid
CID 776395
2-(5-Chloropyridin-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
CID 1230931
6'-(3-Ethylureido)-[3,3'-bipyridine]-5-carboxylic acid
CID 59208477
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
2-[(3,4-Dimethylphenyl)amino]nicotinic acid
CID 20415
(S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2,3-dihydro-1H-isoindole-5-carbonyl}-amino)-pent-4-ynoic acid
CID 44301021
1,3-dioxo-2-(prop-2-en-1-yl)-N-(pyridin-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 24979951

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid (CID 53392432) is 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid is CN1C(=O)c2cccc(CNc3ccc(C(=O)O)cn3)c2C1=O.
What is the InChIKey of 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is UVVXUGHJMOMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-19-14(20)11-4-2-3-9(13(11)15(19)21)7-17-12-6-5-10(8-18-12)16(22)23/h2-6,8H,7H2,1H3,(H,17,18)(H,22,23).
What are the key properties of 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid?
6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 311.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53392432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).