Home Carboxys 2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}pyridine-3-carboxylic acid

2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}pyridine-3-carboxylic acid

CAS No.:
1019452-29-9
Catalog Number:
AG01A9M8
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
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Product Description
Catalog Number:
AG01A9M8
Chemical Name:
2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}pyridine-3-carboxylic acid
CAS Number:
1019452-29-9
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
MDL Number:
MFCD11523654
IUPAC Name:
2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H19N3O2/c1-2-16-8-4-5-10(16)9-15-12-11(13(17)18)6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,14,15)(H,17,18)
InChI Key:
IOSWCAYUTZUINK-UHFFFAOYSA-N
SMILES:
CCN1CCCC1CNc1ncccc1C(=O)O
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties