5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid

C12H19N3O4 — CID 114098601

IUPAC5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
SMILESCOCCOCCCNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-18-5-6-19-4-2-3-14-11-10(12(16)17)7-9(13)8-15-11/h7-8H,2-6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyGHHHZKXJQLERNA-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.83
Rot. Bonds9

About 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid

5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid (PubChem CID 114098601) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
PubChem CID114098601
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
SMILESCOCCOCCCNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-18-5-6-19-4-2-3-14-11-10(12(16)17)7-9(13)8-15-11/h7-8H,2-6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyGHHHZKXJQLERNA-UHFFFAOYSA-N
XLogP0.83
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 106305372
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 114047133
5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
5-chloro-2-(3-ethoxypropylamino)pyridine-3-carboxylic acid;propane-1,2-diol
CID 159213008
2-amino-4-fluoro-5-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103403914
5-amino-2-[(2-ethyl-2-methylsulfanylbutyl)amino]pyridine-3-carboxylic acid
CID 114117482
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid (CID 114098601) is 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid is COCCOCCCNc1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid?
The InChIKey is GHHHZKXJQLERNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-18-5-6-19-4-2-3-14-11-10(12(16)17)7-9(13)8-15-11/h7-8H,2-6,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid?
5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114098601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).