2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid

C8H12N4O2 — CID 151938896

IUPAC2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(N)N)n1
InChIInChI=1S/C8H12N4O2/c1-2-6-3-5(8(13)14)4-7(11-6)12(9)10/h3-4H,2,9-10H2,1H3,(H,13,14)
InChIKeyTUFTXDGNBJPTAC-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.10
Rot. Bonds3

About 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid

2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid (PubChem CID 151938896) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
PubChem CID151938896
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(N)N)n1
InChIInChI=1S/C8H12N4O2/c1-2-6-3-5(8(13)14)4-7(11-6)12(9)10/h3-4H,2,9-10H2,1H3,(H,13,14)
InChIKeyTUFTXDGNBJPTAC-UHFFFAOYSA-N
XLogP-0.10
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 113380132
2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
CID 84692631
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095
2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380186
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389

Frequently Asked Questions

What is the IUPAC name of 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid (CID 151938896) is 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(N(N)N)n1.
What is the InChIKey of 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is TUFTXDGNBJPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-6-3-5(8(13)14)4-7(11-6)12(9)10/h3-4H,2,9-10H2,1H3,(H,13,14).
What are the key properties of 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid?
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 151938896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).