CID 44748292
PubChem CID
44748292
Structure
Molecular Formula
Status
Non-live
Molecular Weight
509.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[(4-cyanophenyl)methyl]-2-[2-(4-methylphenoxy)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C30H31N5O3/c1-21-4-10-24(11-5-21)38-28-25(3-2-14-33-28)29(37)35-19-26(30(20-35)12-15-32-16-13-30)27(36)34-18-23-8-6-22(17-31)7-9-23/h2-11,14,26,32H,12-13,15-16,18-20H2,1H3,(H,34,36)
FFEOVEQJBGMGBT-UHFFFAOYSA-N
CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CC(C4(C3)CCNCC4)C(=O)NCC5=CC=C(C=C5)C#N
C30H31N5O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
509.6 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
509.24268987 g/mol
Property Name
Monoisotopic Mass
Property Value
509.24268987 g/mol
Property Name
Topological Polar Surface Area
Property Value
107 A^2
Property Name
Heavy Atom Count
Property Value
38
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
864
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS