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Home > Pyridines > 954563-82-7
954563-82-7 | 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CAS No: 954563-82-7 Catalog No: AG01AANT MDL No:MFCD09740134
Product Description
Catalog Number:
AG01AANT
Chemical Name:
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CAS Number:
954563-82-7
Molecular Formula:
C11H16N4O
Molecular Weight:
220.2709
MDL Number:
MFCD09740134
IUPAC Name:
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
InChI:
InChI=1S/C11H16N4O/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2,(H2,12,16)
InChI Key:
YQMIQSUMYBZKFY-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccnc1N1CCNCCC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.276g/mol
Monoisotopic Mass:
220.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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