ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate

C17H20N2O3 — CID 20553774

IUPACethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
SMILESCCCCc1[nH]c(=O)c(C(=O)OCC)cc1-c1ccncc1
InChIInChI=1S/C17H20N2O3/c1-3-5-6-15-13(12-7-9-18-10-8-12)11-14(16(20)19-15)17(21)22-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
InChIKeyQGZHZEZLUYTNNS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.96
Rot. Bonds6

About ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate

ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate (PubChem CID 20553774) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
PubChem CID20553774
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
SMILESCCCCc1[nH]c(=O)c(C(=O)OCC)cc1-c1ccncc1
InChIInChI=1S/C17H20N2O3/c1-3-5-6-15-13(12-7-9-18-10-8-12)11-14(16(20)19-15)17(21)22-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
InChIKeyQGZHZEZLUYTNNS-UHFFFAOYSA-N
XLogP2.96
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide
CID 20514941
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
CID 165453183
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 20553799
6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 70513872
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
ethyl 2,5,8-trioxo-1H-quinoline-3-carboxylate
CID 121003181
diethyl 6-(4-butylphenyl)azulene-1,3-dicarboxylate
CID 11036889
4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid
CID 142785656
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 20515034
3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 14978532

Frequently Asked Questions

What is the IUPAC name of ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate (CID 20553774) is ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate is CCCCc1[nH]c(=O)c(C(=O)OCC)cc1-c1ccncc1.
What is the InChIKey of ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate?
The InChIKey is QGZHZEZLUYTNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-5-6-15-13(12-7-9-18-10-8-12)11-14(16(20)19-15)17(21)22-4-2/h7-11H,3-6H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate?
ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 20553774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).