ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate

C13H18N2O3 — CID 82728827

IUPACethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCOC2C)nc1
InChIInChI=1S/C13H18N2O3/c1-3-17-13(16)10-4-5-12(14-8-10)15-11-6-7-18-9(11)2/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyITQHOGLOBMNALY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds4

About ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate

ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate (PubChem CID 82728827) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
PubChem CID82728827
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCOC2C)nc1
InChIInChI=1S/C13H18N2O3/c1-3-17-13(16)10-4-5-12(14-8-10)15-11-6-7-18-9(11)2/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyITQHOGLOBMNALY-UHFFFAOYSA-N
XLogP1.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate (CID 82728827) is ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CCOC2C)nc1.
What is the InChIKey of ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is ITQHOGLOBMNALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-17-13(16)10-4-5-12(14-8-10)15-11-6-7-18-9(11)2/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate?
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 82728827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).