3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid

C10H14N4O4 — CID 114162790

IUPAC3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid
SMILESNC(=O)COCCNc1nccc(C(=O)O)c1N
InChIInChI=1S/C10H14N4O4/c11-7(15)5-18-4-3-14-9-8(12)6(10(16)17)1-2-13-9/h1-2H,3-5,12H2,(H2,11,15)(H,13,14)(H,16,17)
InChIKeyKVRSTLNZXBJWII-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.72
Rot. Bonds7

About 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid

3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid (PubChem CID 114162790) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid
PubChem CID114162790
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid
SMILESNC(=O)COCCNc1nccc(C(=O)O)c1N
InChIInChI=1S/C10H14N4O4/c11-7(15)5-18-4-3-14-9-8(12)6(10(16)17)1-2-13-9/h1-2H,3-5,12H2,(H2,11,15)(H,13,14)(H,16,17)
InChIKeyKVRSTLNZXBJWII-UHFFFAOYSA-N
XLogP-0.72
TPSA140.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[2-(carbamoylamino)ethylamino]pyridine-4-carboxylic acid
CID 83114653
3-amino-2-(4,4,4-trifluorobutylamino)pyridine-4-carboxylic acid
CID 115521844
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid
CID 103464069
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106241316
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
2-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106234320
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
CID 106241159
2-[2-[(5,6-diamino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234451
3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106331142

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid (CID 114162790) is 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid is NC(=O)COCCNc1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is KVRSTLNZXBJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-7(15)5-18-4-3-14-9-8(12)6(10(16)17)1-2-13-9/h1-2H,3-5,12H2,(H2,11,15)(H,13,14)(H,16,17).
What are the key properties of 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid?
3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114162790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).