ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate

C14H17N3O3 — CID 14616716

IUPACethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-2-20-14(19)11-8-10(9-15)12(16-13(11)18)17-6-4-3-5-7-17/h8H,2-7H2,1H3,(H,16,18)
InChIKeyUSMZRYNNWSBVSI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds3

About ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate

ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate (PubChem CID 14616716) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate
PubChem CID14616716
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-2-20-14(19)11-8-10(9-15)12(16-13(11)18)17-6-4-3-5-7-17/h8H,2-7H2,1H3,(H,16,18)
InChIKeyUSMZRYNNWSBVSI-UHFFFAOYSA-N
XLogP1.41
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203
ethyl 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate
CID 1473894
ethyl 2-tert-butyl-5-cyano-6-oxo-1H-pyridine-3-carboxylate
CID 14490480
ethyl 6-[4-[benzylsulfonyl(prop-2-enyl)carbamoyl]piperidin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate
CID 68598855
ethyl 3,5-dicyano-2,4-dimethylbenzoate
CID 156825800
ethyl 2-[4-(azepan-1-yl)-3-cyanophenyl]pyridine-3-carboxylate
CID 68702088
ethyl 4,5-diamino-2-cyanobenzoate
CID 134651440
ethyl 4-amino-5-cyano-2-hydroxy-3-methylbenzoate
CID 2775029
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
5-(4-ethoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930326
ethyl 5-cyano-2-(hydroxymethyl)-4-methylbenzoate
CID 134633601
1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 68918085

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate (CID 14616716) is ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(N2CCCCC2)[nH]c1=O.
What is the InChIKey of ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate?
The InChIKey is USMZRYNNWSBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-20-14(19)11-8-10(9-15)12(16-13(11)18)17-6-4-3-5-7-17/h8H,2-7H2,1H3,(H,16,18).
What are the key properties of ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate?
ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 14616716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).