6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid

C13H19N3O3 — CID 122054050

IUPAC6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)12(19)15-8-7-14-10-6-4-5-9(16-10)11(17)18/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyYTNFCGCELMXSGT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds5

About 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid

6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid (PubChem CID 122054050) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
PubChem CID122054050
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)12(19)15-8-7-14-10-6-4-5-9(16-10)11(17)18/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyYTNFCGCELMXSGT-UHFFFAOYSA-N
XLogP1.35
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240234
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid (CID 122054050) is 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid is CC(C)(C)C(=O)NCCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is YTNFCGCELMXSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)12(19)15-8-7-14-10-6-4-5-9(16-10)11(17)18/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid?
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).