2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid

C16H26N2O3 — CID 106003855

IUPAC2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCCCCOC(C)C)n1
InChIInChI=1S/C16H26N2O3/c1-4-7-14-10-13(16(19)20)11-15(18-14)17-8-5-6-9-21-12(2)3/h10-12H,4-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKSVVCABQYWVKSH-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.35
Rot. Bonds10

About 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid

2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 106003855) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID106003855
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCCCCOC(C)C)n1
InChIInChI=1S/C16H26N2O3/c1-4-7-14-10-13(16(19)20)11-15(18-14)17-8-5-6-9-21-12(2)3/h10-12H,4-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKSVVCABQYWVKSH-UHFFFAOYSA-N
XLogP3.35
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 104765815
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 106035062
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
CID 106305378
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
2-ethyl-6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765567

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid (CID 106003855) is 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NCCCCOC(C)C)n1.
What is the InChIKey of 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is KSVVCABQYWVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-7-14-10-13(16(19)20)11-15(18-14)17-8-5-6-9-21-12(2)3/h10-12H,4-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid?
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 106003855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).