5-hydroxypentyl 5-aminopyridine-2-carboxylate

C11H16N2O3 — CID 81315730

IUPAC5-hydroxypentyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCCCCCO)nc1
InChIInChI=1S/C11H16N2O3/c12-9-4-5-10(13-8-9)11(15)16-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7,12H2
InChIKeyDLXWQXXPQXGQKR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.98
Rot. Bonds6

About 5-hydroxypentyl 5-aminopyridine-2-carboxylate

5-hydroxypentyl 5-aminopyridine-2-carboxylate (PubChem CID 81315730) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-hydroxypentyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name5-hydroxypentyl 5-aminopyridine-2-carboxylate
PubChem CID81315730
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-hydroxypentyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCCCCCO)nc1
InChIInChI=1S/C11H16N2O3/c12-9-4-5-10(13-8-9)11(15)16-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7,12H2
InChIKeyDLXWQXXPQXGQKR-UHFFFAOYSA-N
XLogP0.98
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-hydroxypentyl 5-aminopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxyhexyl 5-aminopyridine-2-carboxylate
CID 104934318
butyl 5-aminopyridine-2-carboxylate
CID 81315833
3-(2,2,2-trifluoroethoxy)propyl 5-aminopyridine-2-carboxylate
CID 81318177
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
CID 81316375
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
CID 82906963

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 5-hydroxypentyl 5-aminopyridine-2-carboxylate (CID 81315730) is 5-hydroxypentyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 5-hydroxypentyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 5-hydroxypentyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCCCCCO)nc1.
What is the InChIKey of 5-hydroxypentyl 5-aminopyridine-2-carboxylate?
The InChIKey is DLXWQXXPQXGQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-9-4-5-10(13-8-9)11(15)16-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7,12H2.
What are the key properties of 5-hydroxypentyl 5-aminopyridine-2-carboxylate?
5-hydroxypentyl 5-aminopyridine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81315730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).