ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate

C19H19N3O3 — CID 1489439

IUPACethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(23)16-12-15(13-20)18(22-8-10-24-11-9-22)21-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11H2,1H3
InChIKeyQAZAUHUQNOQNDX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds4

About ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate

ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate (PubChem CID 1489439) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate
PubChem CID1489439
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(23)16-12-15(13-20)18(22-8-10-24-11-9-22)21-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11H2,1H3
InChIKeyQAZAUHUQNOQNDX-UHFFFAOYSA-N
XLogP2.63
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate (CID 1489439) is ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate?
The InChIKey is QAZAUHUQNOQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-19(23)16-12-15(13-20)18(22-8-10-24-11-9-22)21-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11H2,1H3.
What are the key properties of ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate?
ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-6-morpholin-4-yl-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 1489439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).