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150896-99-4 | 5H-Cyclopenta[2,1-b:3,4-b']dipyridine-5-propanamide, 5-(4-pyridinylmethyl)- (9CI)
CAS No: 150896-99-4 Catalog No: AG001MXJ MDL No:
Product Description
Catalog Number:
AG001MXJ
Chemical Name:
5H-Cyclopenta[2,1-b:3,4-b']dipyridine-5-propanamide, 5-(4-pyridinylmethyl)- (9CI)
CAS Number:
150896-99-4
Molecular Formula:
C20H18N4O
Molecular Weight:
330.3831
IUPAC Name:
3-[8-(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]propanamide
InChI:
InChI=1S/C20H18N4O/c21-17(25)5-8-20(13-14-6-11-22-12-7-14)15-3-1-9-23-18(15)19-16(20)4-2-10-24-19/h1-4,6-7,9-12H,5,8,13H2,(H2,21,25)
InChI Key:
OOBBLUASJPWQCB-UHFFFAOYSA-N
SMILES:
NC(=O)CCC1(Cc2ccncc2)c2cccnc2c2c1cccn2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.391g/mol
Monoisotopic Mass:
330.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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