ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate

C13H19N3O2 — CID 22566555

IUPACethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCNCC2)nc1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-3-4-12(15-9-10)16-11-5-7-14-8-6-11/h3-4,9,11,14H,2,5-8H2,1H3,(H,15,16)
InChIKeyQIJZKSPASUTWTM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds4

About ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate

ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate (PubChem CID 22566555) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
PubChem CID22566555
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCNCC2)nc1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-3-4-12(15-9-10)16-11-5-7-14-8-6-11/h3-4,9,11,14H,2,5-8H2,1H3,(H,15,16)
InChIKeyQIJZKSPASUTWTM-UHFFFAOYSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
CID 63663382
ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 107143719
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 6-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348809
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate
CID 103742732

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate (CID 22566555) is ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CCNCC2)nc1.
What is the InChIKey of ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate?
The InChIKey is QIJZKSPASUTWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)10-3-4-12(15-9-10)16-11-5-7-14-8-6-11/h3-4,9,11,14H,2,5-8H2,1H3,(H,15,16).
What are the key properties of ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate?
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 22566555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).