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1137477-07-6 | 3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[(2-morpholinylmethyl)amino]-, methyl ester
CAS No: 1137477-07-6 Catalog No: AG0009KE MDL No:
Product Description
Catalog Number:
AG0009KE
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[(2-morpholinylmethyl)amino]-, methyl ester
CAS Number:
1137477-07-6
Molecular Formula:
C17H19N7O3
Molecular Weight:
369.3779
IUPAC Name:
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
InChI Key:
PHPWNBVMNTWSJB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1NCC1CNCCO1)Nc1cnc(cn1)C#N
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.155g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
369.385g/mol
Monoisotopic Mass:
369.155g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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