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1137477-03-2 | 3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-(4-piperidinylamino)-, methyl ester
CAS No: 1137477-03-2 Catalog No: AG0009KF MDL No:
Product Description
Catalog Number:
AG0009KF
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-(4-piperidinylamino)-, methyl ester
CAS Number:
1137477-03-2
Molecular Formula:
C17H19N7O2
Molecular Weight:
353.3785
IUPAC Name:
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C17H19N7O2/c1-26-17(25)13-9-22-15(24-16-10-20-12(7-18)8-21-16)6-14(13)23-11-2-4-19-5-3-11/h6,8-11,19H,2-5H2,1H3,(H2,21,22,23,24)
InChI Key:
KWKCNKSTWSRLEP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1NC1CCNCC1)Nc1cnc(cn1)C#N
Properties
Complexity:
517
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:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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