N2-benzyl-N6-ethyl-4-(trifluoromethyl)pyridine-2,6-dicarboxamide

N2-benzyl-N6-ethyl-4-(trifluoromethyl)pyridine-2,6-dicarboxamide

CAS: 1210695-02-5

Formula: C17H16F3N3O2

SMILES: CCNC(=O)C1=CC(=CC(=N1)C(=O)NCC1=CC=CC=C1)C(F)(F)F

IUPAC: N2-benzyl-N6-ethyl-4-(trifluoromethyl)pyridine-2,6-dicarboxamide

InChI: InChI=1S/C17H16F3N3O2/c1-2-21-15(24)13-8-12(17(18,19)20)9-14(23-13)16(25)22-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,21,24)(H,22,25)

Composition: C (58.12%), H (4.59%), F (16.22%), N (11.96%), O (9.11%)

Molar Mass: 351.329

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.119461256
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MXTMQUQZMOKGOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.44
Topological Polar Surface Area	71.09
Polarizability	31.38
Ring Count	2
Rotatable Bond Count	6

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90%	<2 Days	1210695-02-5		$51.35-$86.31$51.35$63.37$86.31