2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate

C14H21NO4 — CID 75450743

IUPAC2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCCCCOCCOC(=O)c1cc(CC)[nH]c(=O)c1
InChIInChI=1S/C14H21NO4/c1-3-5-6-18-7-8-19-14(17)11-9-12(4-2)15-13(16)10-11/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeySJXFQQPSSWKDIK-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.91
Rot. Bonds8

About 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate

2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 75450743) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID75450743
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCCCCOCCOC(=O)c1cc(CC)[nH]c(=O)c1
InChIInChI=1S/C14H21NO4/c1-3-5-6-18-7-8-19-14(17)11-9-12(4-2)15-13(16)10-11/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeySJXFQQPSSWKDIK-UHFFFAOYSA-N
XLogP1.91
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-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

2-hexoxyethyl 3,5-dimethylbenzoate
CID 140608548
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
3-(2-butoxyethoxycarbonyl)benzoic acid
CID 54097430
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
2-butoxyethyl 3-chloro-5-sulfamoylbenzoate
CID 65380469
2-butoxyethyl 6-bromopyridine-3-carboxylate
CID 66462585
2-butoxyethyl 3-amino-4-fluorobenzoate
CID 61304263
bis(2-butoxyethyl) 4-bromobenzene-1,3-dicarboxylate
CID 118856982
2-oxo-6-propyl-1H-pyridine-4-carboxamide
CID 23352068
2-nonoxyethyl benzoate
CID 140608587
2-decoxyethyl 3-butylbenzoate
CID 140608717
2-butoxyethyl 4-amino-3-methoxybenzoate
CID 104783923

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate (CID 75450743) is 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate is CCCCOCCOC(=O)c1cc(CC)[nH]c(=O)c1.
What is the InChIKey of 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is SJXFQQPSSWKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-5-6-18-7-8-19-14(17)11-9-12(4-2)15-13(16)10-11/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 75450743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).