methyl 2-methoxy-6-{2-[2-(methylamino)pyridin-3-yl]ethyl}benzoate

methyl 2-methoxy-6-{2-[2-(methylamino)pyridin-3-yl]ethyl}benzoate

CAS: 365542-51-4

Formula: C17H20N2O3

SMILES: CNC1=NC=CC=C1CCC1=CC=CC(OC)=C1C(=O)OC

IUPAC: methyl 2-methoxy-6-{2-[2-(methylamino)pyridin-3-yl]ethyl}benzoate

InChI: InChI=1S/C17H20N2O3/c1-18-16-13(7-5-11-19-16)10-9-12-6-4-8-14(21-2)15(12)17(20)22-3/h4-8,11H,9-10H2,1-3H3,(H,18,19)

Composition: C (67.98%), H (6.71%), N (9.33%), O (15.98%)

Molar Mass: 300.358

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.147392512
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UYWQSURDJMXHBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.24
Topological Polar Surface Area	60.45
Polarizability	32.47
Ring Count	2
Rotatable Bond Count	7

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