6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide

C23H33N3O — CID 139502337

IUPAC6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
SMILESO=C(N[C@@H]1CCNC1)c1ccccc(N2CCCCCCCC2)cccc1
InChIInChI=1S/C23H33N3O/c27-23(25-21-15-16-24-19-21)20-11-5-7-13-22(14-8-6-12-20)26-17-9-3-1-2-4-10-18-26/h5-8,11-14,21,24H,1-4,9-10,15-19H2,(H,25,27)/b7-5+,8-6+,11-5-,12-6+,13-7+,14-8-,20-11+,20-12+,22-13+,22-14+/t21-/m1/s1
InChIKeyHXGFICTVHFHYSX-DKYSAXCISA-N
MW367.54 g/mol
LogP4.06
Rot. Bonds3

About 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide

6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide (PubChem CID 139502337) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide.

Molecular Properties

Compound Name6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
PubChem CID139502337
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
SMILESO=C(N[C@@H]1CCNC1)c1ccccc(N2CCCCCCCC2)cccc1
InChIInChI=1S/C23H33N3O/c27-23(25-21-15-16-24-19-21)20-11-5-7-13-22(14-8-6-12-20)26-17-9-3-1-2-4-10-18-26/h5-8,11-14,21,24H,1-4,9-10,15-19H2,(H,25,27)/b7-5+,8-6+,11-5-,12-6+,13-7+,14-8-,20-11+,20-12+,22-13+,22-14+/t21-/m1/s1
InChIKeyHXGFICTVHFHYSX-DKYSAXCISA-N
XLogP4.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
The IUPAC name of 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide (CID 139502337) is 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide.
What is the SMILES notation for 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
The canonical SMILES for 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide is O=C(N[C@@H]1CCNC1)c1ccccc(N2CCCCCCCC2)cccc1.
What is the InChIKey of 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
The InChIKey is HXGFICTVHFHYSX-DKYSAXCISA-N. The full InChI is InChI=1S/C23H33N3O/c27-23(25-21-15-16-24-19-21)20-11-5-7-13-22(14-8-6-12-20)26-17-9-3-1-2-4-10-18-26/h5-8,11-14,21,24H,1-4,9-10,15-19H2,(H,25,27)/b7-5+,8-6+,11-5-,12-6+,13-7+,14-8-,20-11+,20-12+,22-13+,22-14+/t21-/m1/s1.
What are the key properties of 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide is sourced from PubChem (CID 139502337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).