ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate

C13H17N3O3 — CID 53419442

IUPACethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N2CCCCC2=O)cnc1N
InChIInChI=1S/C13H17N3O3/c1-2-19-13(18)10-7-9(8-15-12(10)14)16-6-4-3-5-11(16)17/h7-8H,2-6H2,1H3,(H2,14,15)
InChIKeyFUINGHUAYYKJLV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate

ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 53419442) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
PubChem CID53419442
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N2CCCCC2=O)cnc1N
InChIInChI=1S/C13H17N3O3/c1-2-19-13(18)10-7-9(8-15-12(10)14)16-6-4-3-5-11(16)17/h7-8H,2-6H2,1H3,(H2,14,15)
InChIKeyFUINGHUAYYKJLV-UHFFFAOYSA-N
XLogP1.36
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
CID 57185180
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
ethyl 5-amino-2-(2-oxopyrrolidin-1-yl)benzoate
CID 57245785
methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
CID 91756600
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709
ethyl 2-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyloxybenzoate
CID 18096728
ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
CID 116993198
ethyl 5-[(2,7-dioxoazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630223
ethyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 12778914
2-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 141059160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate (CID 53419442) is ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1cc(N2CCCCC2=O)cnc1N.
What is the InChIKey of ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is FUINGHUAYYKJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-13(18)10-7-9(8-15-12(10)14)16-6-4-3-5-11(16)17/h7-8H,2-6H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate?
ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 53419442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).