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1137477-38-3 | 3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[(1-methyl-4-piperidinyl)amino]-
CAS No: 1137477-38-3 Catalog No: AG0009KC MDL No:
Product Description
Catalog Number:
AG0009KC
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[(1-methyl-4-piperidinyl)amino]-
CAS Number:
1137477-38-3
Molecular Formula:
C17H19N7O2
Molecular Weight:
353.3785
IUPAC Name:
6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C17H19N7O2/c1-24-4-2-11(3-5-24)22-14-6-15(21-9-13(14)17(25)26)23-16-10-19-12(7-18)8-20-16/h6,8-11H,2-5H2,1H3,(H,25,26)(H2,20,21,22,23)
InChI Key:
XREZEMOUSGFLEW-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC1CCN(CC1)C)C(=O)O
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.16g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.386g/mol
Monoisotopic Mass:
353.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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