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114622-97-8 | Pentanamide, 2-amino-4-methyl-N-[2-(2-pyridinylamino)ethyl]-, (S)- (9CI)
CAS No: 114622-97-8 Catalog No: AG000EUI MDL No:
Product Description
Catalog Number:
AG000EUI
Chemical Name:
Pentanamide, 2-amino-4-methyl-N-[2-(2-pyridinylamino)ethyl]-, (S)- (9CI)
CAS Number:
114622-97-8
Molecular Formula:
C13H22N4O
Molecular Weight:
250.3400
IUPAC Name:
2-amino-4-methyl-N-[2-(pyridin-2-ylamino)ethyl]pentanamide
InChI:
InChI=1S/C13H22N4O/c1-10(2)9-11(14)13(18)17-8-7-16-12-5-3-4-6-15-12/h3-6,10-11H,7-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
MHLOEMFPVYXEMR-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)NCCNc1ccccn1)N)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.346g/mol
Monoisotopic Mass:
250.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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