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4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide

4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide

CAS: 439094-46-9

Formula: C17H19ClN4O

SMILES: CN1CCN(CC1)C1=NC=C(NC(=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide

InChI: InChI=1S/C17H19ClN4O/c1-21-8-10-22(11-9-21)16-7-6-15(12-19-16)20-17(23)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,23)

Composition: C (61.72%), H (5.79%), Cl (10.72%), N (16.94%), O (4.84%)

Molar Mass: 330.82

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 330.1247389
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NJQCEQRGDRYPPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.03
Topological Polar Surface Area 48.47
Polarizability 35.05
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439094-46-9 $51.35-$86.31$51.35$63.37$86.31
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