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858117-24-5 | Urea, N-(2-pyridinylmethyl)-N'-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-
CAS No: 858117-24-5 Catalog No: AG004OGG MDL No:
Product Description
Catalog Number:
AG004OGG
Chemical Name:
Urea, N-(2-pyridinylmethyl)-N'-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-
CAS Number:
858117-24-5
Molecular Formula:
C15H15N5O
Molecular Weight:
281.3125
IUPAC Name:
1-(pyridin-2-ylmethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)urea
InChI:
InChI=1S/C15H15N5O/c21-15(20-10-12-4-1-2-6-16-12)19-9-11-8-18-14-13(11)5-3-7-17-14/h1-8H,9-10H2,(H,17,18)(H2,19,20,21)
InChI Key:
GNTBUBYNPJOYFC-UHFFFAOYSA-N
SMILES:
O=C(NCc1c[nH]c2c1cccn2)NCc1ccccn1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.319g/mol
Monoisotopic Mass:
281.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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