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5-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide

5-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide

CAS: 1285446-04-9

Formula: C12H18BrN3O

SMILES: CCN(CC)CCNC(=O)C1=CC=C(Br)C=N1

IUPAC: 5-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide

InChI: InChI=1S/C12H18BrN3O/c1-3-16(4-2)8-7-14-12(17)11-6-5-10(13)9-15-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)

Composition: C (48.01%), H (6.04%), Br (26.62%), N (14.00%), O (5.33%)

Molar Mass: 300.2

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 299.063325
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BSMXWXBEJYOUAH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.64
Topological Polar Surface Area 45.23
Polarizability 27.64
Ring Count 1
Rotatable Bond Count 6

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