N-{2-[(6-methylpyridin-3-yl)formamido]ethyl}-4-(morpholin-4-yl)-3-nitrobenzamide

N-{2-[(6-methylpyridin-3-yl)formamido]ethyl}-4-(morpholin-4-yl)-3-nitrobenzamide

Formula: C20H23N5O5

SMILES: CC1=CC=C(C=N1)C(=O)NCCNC(=O)C1=CC=C(N2CCOCC2)C(=C1)[N+]([O-])=O

IUPAC: N-{2-[(6-methylpyridin-3-yl)formamido]ethyl}-4-(morpholin-4-yl)-3-nitrobenzamide

InChI: InChI=1S/C20H23N5O5/c1-14-2-3-16(13-23-14)20(27)22-7-6-21-19(26)15-4-5-17(18(12-15)25(28)29)24-8-10-30-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,21,26)(H,22,27)

Composition: C (58.10%), H (5.61%), N (16.94%), O (19.35%)

Molar Mass: 413.434

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	413.169918861
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	FECHQKZMPFNZBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.36
Topological Polar Surface Area	126.7
Polarizability	40.58
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23N5O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00