N-{3-[(6-methylpyridin-3-yl)formamido]propyl}-3-nitro-4-(piperidin-1-yl)benzamide

N-{3-[(6-methylpyridin-3-yl)formamido]propyl}-3-nitro-4-(piperidin-1-yl)benzamide

Formula: C22H27N5O4

SMILES: CC1=CC=C(C=N1)C(=O)NCCCNC(=O)C1=CC=C(N2CCCCC2)C(=C1)[N+]([O-])=O

IUPAC: N-{3-[(6-methylpyridin-3-yl)formamido]propyl}-3-nitro-4-(piperidin-1-yl)benzamide

InChI: InChI=1S/C22H27N5O4/c1-16-6-7-18(15-25-16)22(29)24-11-5-10-23-21(28)17-8-9-19(20(14-17)27(30)31)26-12-3-2-4-13-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,28)(H,24,29)

Composition: C (62.10%), H (6.40%), N (16.46%), O (15.04%)

Molar Mass: 425.489

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	425.206304369
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	FOVVEBLFSIOWFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.29
Topological Polar Surface Area	117.47
Polarizability	43.51
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H27N5O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00