ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate

C13H17N3O3 — CID 63663382

IUPACethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCC(=O)NC2)nc1
InChIInChI=1S/C13H17N3O3/c1-2-19-13(18)9-3-5-11(14-7-9)16-10-4-6-12(17)15-8-10/h3,5,7,10H,2,4,6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyHLMLBQDUMLVZGK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.95
Rot. Bonds4

About ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate

ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 63663382) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID63663382
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCC(=O)NC2)nc1
InChIInChI=1S/C13H17N3O3/c1-2-19-13(18)9-3-5-11(14-7-9)16-10-4-6-12(17)15-8-10/h3,5,7,10H,2,4,6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyHLMLBQDUMLVZGK-UHFFFAOYSA-N
XLogP0.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 107143719
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 80712830
ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
CID 64742881
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322147
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 114156991
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66457122
ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106197591

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate (CID 63663382) is ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CCC(=O)NC2)nc1.
What is the InChIKey of ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is HLMLBQDUMLVZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-13(18)9-3-5-11(14-7-9)16-10-4-6-12(17)15-8-10/h3,5,7,10H,2,4,6,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate?
ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 63663382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).