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1137476-04-0 | 3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[[(3-methyl-3-oxetanyl)methyl]amino]-, methyl ester
CAS No: 1137476-04-0 Catalog No: AG0009JL MDL No:
Product Description
Catalog Number:
AG0009JL
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[[(3-methyl-3-oxetanyl)methyl]amino]-, methyl ester
CAS Number:
1137476-04-0
Molecular Formula:
C17H18N6O3
Molecular Weight:
354.3632
IUPAC Name:
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[methyl-(3-methyloxetan-3-yl)amino]pyridine-3-carboxylate
InChI:
InChI=1S/C17H18N6O3/c1-17(9-26-10-17)23(2)13-4-14(21-7-12(13)16(24)25-3)22-15-8-19-11(5-18)6-20-15/h4,6-8H,9-10H2,1-3H3,(H,20,21,22)
InChI Key:
YDHNDOZHOLKKOH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1NCC1(C)COC1)Nc1cnc(cn1)C#N
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.144g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.37g/mol
Monoisotopic Mass:
354.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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