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1137476-32-4 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-(4-piperidinylmethoxy)-2-pyridinyl]amino]-
CAS No: 1137476-32-4 Catalog No: AG0009KP MDL No:
Product Description
Catalog Number:
AG0009KP
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-(4-piperidinylmethoxy)-2-pyridinyl]amino]-
CAS Number:
1137476-32-4
Molecular Formula:
C16H19N7O
Molecular Weight:
325.3684
IUPAC Name:
5-[[5-amino-4-(piperidin-4-ylmethoxy)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H19N7O/c17-6-12-7-21-16(9-20-12)23-15-5-14(13(18)8-22-15)24-10-11-1-3-19-4-2-11/h5,7-9,11,19H,1-4,10,18H2,(H,21,22,23)
InChI Key:
MJFMPXFWAGMSAU-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)OCC1CCNCC1)N
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.165g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.376g/mol
Monoisotopic Mass:
325.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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