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1137475-97-8 | 3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[(1-methyl-4-piperidinyl)amino]-, methyl ester
CAS No: 1137475-97-8 Catalog No: AG0009JM MDL No:
Product Description
Catalog Number:
AG0009JM
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[(1-methyl-4-piperidinyl)amino]-, methyl ester
CAS Number:
1137475-97-8
Molecular Formula:
C18H21N7O2
Molecular Weight:
367.4050
IUPAC Name:
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate
InChI:
InChI=1S/C18H21N7O2/c1-25-5-3-12(4-6-25)23-15-7-16(22-10-14(15)18(26)27-2)24-17-11-20-13(8-19)9-21-17/h7,9-12H,3-6H2,1-2H3,(H2,21,22,23,24)
InChI Key:
VWCOELSGXGLYKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1NC1CCN(CC1)C)Nc1cnc(cn1)C#N
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.176g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.413g/mol
Monoisotopic Mass:
367.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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