ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate

C13H15N3O3 — CID 78946431

IUPACethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCOC(C#N)C2)nc1
InChIInChI=1S/C13H15N3O3/c1-2-18-13(17)10-3-4-12(15-8-10)16-5-6-19-11(7-14)9-16/h3-4,8,11H,2,5-6,9H2,1H3
InChIKeyTTYHTBVHFFPIAZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.99
Rot. Bonds3

About ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate

ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate (PubChem CID 78946431) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
PubChem CID78946431
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCOC(C#N)C2)nc1
InChIInChI=1S/C13H15N3O3/c1-2-18-13(17)10-3-4-12(15-8-10)16-5-6-19-11(7-14)9-16/h3-4,8,11H,2,5-6,9H2,1H3
InChIKeyTTYHTBVHFFPIAZ-UHFFFAOYSA-N
XLogP0.99
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965247
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133363565
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile
CID 80629449
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 39820595
ethyl 6-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133455882
4-(4-propanoylphenyl)morpholine-2-carbonitrile
CID 114065848
4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
CID 79675246
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38775271

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate (CID 78946431) is ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCOC(C#N)C2)nc1.
What is the InChIKey of ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate?
The InChIKey is TTYHTBVHFFPIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-18-13(17)10-3-4-12(15-8-10)16-5-6-19-11(7-14)9-16/h3-4,8,11H,2,5-6,9H2,1H3.
What are the key properties of ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate?
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 78946431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).