4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

CAS: 821768-06-3

Formula: C17H15F6N5O

SMILES: FC(F)(F)C1=CN=C(NC(=O)N2CCN(CC2)C2=NC=CC=C2C(F)(F)F)C=C1

IUPAC: 4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

InChI: InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)

Composition: C (48.69%), H (3.61%), F (27.18%), N (16.70%), O (3.82%)

Molar Mass: 419.331

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	419.118079101
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JFRYYGVYCWYIDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.2
Topological Polar Surface Area	61.36
Polarizability	32.71
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99.34%	<7 Days	821768-06-3		$74.80-$794.75$74.80$130.90$299.20$486.20$794.75

Molnova Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	821768-06-3		$48.16-$454.05$48.16$68.80$121.54$267.54$454.05