ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate

C12H16N2O3 — CID 80712830

IUPACethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCOC2)nc1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(15)9-3-4-11(13-7-9)14-10-5-6-16-8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H,13,14)
InChIKeyHNADDBQNLDXBAR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds4

About ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate

ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate (PubChem CID 80712830) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
PubChem CID80712830
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCOC2)nc1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(15)9-3-4-11(13-7-9)14-10-5-6-16-8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H,13,14)
InChIKeyHNADDBQNLDXBAR-UHFFFAOYSA-N
XLogP1.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
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-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
CID 63663382
ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
CID 114075090
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-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate (CID 80712830) is ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CCOC2)nc1.
What is the InChIKey of ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate?
The InChIKey is HNADDBQNLDXBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-12(15)9-3-4-11(13-7-9)14-10-5-6-16-8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H,13,14).
What are the key properties of ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate?
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 80712830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).