ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate

C13H20N2O3 — CID 107269211

IUPACethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCCC(C)O
InChIInChI=1S/C13H20N2O3/c1-3-18-13(17)11-7-5-9-15-12(11)14-8-4-6-10(2)16/h5,7,9-10,16H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyGHDIAHBBADUDJA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds7

About ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate

ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate (PubChem CID 107269211) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
PubChem CID107269211
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCCC(C)O
InChIInChI=1S/C13H20N2O3/c1-3-18-13(17)11-7-5-9-15-12(11)14-8-4-6-10(2)16/h5,7,9-10,16H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyGHDIAHBBADUDJA-UHFFFAOYSA-N
XLogP1.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-hydroxypentylamino)pyridine-3-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

ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
CID 104695418
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate (CID 107269211) is ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCCC(C)O.
What is the InChIKey of ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate?
The InChIKey is GHDIAHBBADUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-13(17)11-7-5-9-15-12(11)14-8-4-6-10(2)16/h5,7,9-10,16H,3-4,6,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate?
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate is sourced from PubChem (CID 107269211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).