6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid

C20H22N4O8 — CID 58567075

IUPAC6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)CN(CCN(CC(=O)O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C20H22N4O8/c25-17(26)11-23(9-13-3-1-5-15(21-13)19(29)30)7-8-24(12-18(27)28)10-14-4-2-6-16(22-14)20(31)32/h1-6H,7-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyOWUCEEJFXCGECY-UHFFFAOYSA-N
MW446.42 g/mol
LogP0.35
Rot. Bonds13

About 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid

6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 58567075) has the molecular formula C20H22N4O8 and a molecular weight of 446.42 g/mol. Its IUPAC name is 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID58567075
Molecular FormulaC20H22N4O8
Molecular Weight446.42 g/mol
Exact Mass446.14
IUPAC Name6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)CN(CCN(CC(=O)O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C20H22N4O8/c25-17(26)11-23(9-13-3-1-5-15(21-13)19(29)30)7-8-24(12-18(27)28)10-14-4-2-6-16(22-14)20(31)32/h1-6H,7-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyOWUCEEJFXCGECY-UHFFFAOYSA-N
XLogP0.35
TPSA181.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-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

2,6-Pyridinedicarboxylic acid
CID 10367
Zinc Picolinate
CID 9904746
6-Methylpyridine-2-carboxylic acid
CID 70282
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273
2,2'-Bipyridine-6,6'-dicarboxylic Acid
CID 9959961
6-(Pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558255
6-(Hydroxymethyl)picolinic acid
CID 11789404
Copper(II) picolinate
CID 14963587
6,6'-(Azanediylbis(methylene))dipicolinic acid
CID 155126357
4-(Dimethylamino)pyridine-2,6-dicarboxylic acid
CID 318213
2,6-Pyridinedicarboxylic acid, 1-oxide
CID 85179

Frequently Asked Questions

What is the IUPAC name of 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid (CID 58567075) is 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid is O=C(O)CN(CCN(CC(=O)O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is OWUCEEJFXCGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O8/c25-17(26)11-23(9-13-3-1-5-15(21-13)19(29)30)7-8-24(12-18(27)28)10-14-4-2-6-16(22-14)20(31)32/h1-6H,7-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 446.42 g/mol, XLogP of 0.35, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58567075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).