2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid

C13H19N3O3 — CID 113380141

IUPAC2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCCNC(C)=O)n1
InChIInChI=1S/C13H19N3O3/c1-3-4-11-7-10(13(18)19)8-12(16-11)15-6-5-14-9(2)17/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyRRGDJFWJXAWKMJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds7

About 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid

2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 113380141) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID113380141
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCCNC(C)=O)n1
InChIInChI=1S/C13H19N3O3/c1-3-4-11-7-10(13(18)19)8-12(16-11)15-6-5-14-9(2)17/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyRRGDJFWJXAWKMJ-UHFFFAOYSA-N
XLogP1.28
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
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

2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
CID 106287098
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid (CID 113380141) is 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NCCNC(C)=O)n1.
What is the InChIKey of 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is RRGDJFWJXAWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-11-7-10(13(18)19)8-12(16-11)15-6-5-14-9(2)17/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid?
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).