methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate

C15H17N3O3 — CID 132821963

IUPACmethyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate
SMILESCOC(=O)C1(C#N)Cc2cnc(N3CCOCC3)cc2C1
InChIInChI=1S/C15H17N3O3/c1-20-14(19)15(10-16)7-11-6-13(17-9-12(11)8-15)18-2-4-21-5-3-18/h6,9H,2-5,7-8H2,1H3
InChIKeyHEDYZRGJMFYVHO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.70
Rot. Bonds2

About methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate

methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate (PubChem CID 132821963) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate
PubChem CID132821963
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate
SMILESCOC(=O)C1(C#N)Cc2cnc(N3CCOCC3)cc2C1
InChIInChI=1S/C15H17N3O3/c1-20-14(19)15(10-16)7-11-6-13(17-9-12(11)8-15)18-2-4-21-5-3-18/h6,9H,2-5,7-8H2,1H3
InChIKeyHEDYZRGJMFYVHO-UHFFFAOYSA-N
XLogP0.70
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
The IUPAC name of methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate (CID 132821963) is methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
The canonical SMILES for methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate is COC(=O)C1(C#N)Cc2cnc(N3CCOCC3)cc2C1.
What is the InChIKey of methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
The InChIKey is HEDYZRGJMFYVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-14(19)15(10-16)7-11-6-13(17-9-12(11)8-15)18-2-4-21-5-3-18/h6,9H,2-5,7-8H2,1H3.
What are the key properties of methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate?
methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-3-morpholin-4-yl-5,7-dihydrocyclopenta[c]pyridine-6-carboxylate is sourced from PubChem (CID 132821963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).