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N-{2-[(2-methyl-3-nitrophenyl)formamido]ethyl}pyridine-3-carboxamide

N-{2-[(2-methyl-3-nitrophenyl)formamido]ethyl}pyridine-3-carboxamide

Formula: C16H16N4O4

SMILES: CC1=C(C=CC=C1C(=O)NCCNC(=O)C1=CC=CN=C1)[N+]([O-])=O

IUPAC: N-{2-[(2-methyl-3-nitrophenyl)formamido]ethyl}pyridine-3-carboxamide

InChI: InChI=1S/C16H16N4O4/c1-11-13(5-2-6-14(11)20(23)24)16(22)19-9-8-18-15(21)12-4-3-7-17-10-12/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22)

Composition: C (58.53%), H (4.91%), N (17.06%), O (19.49%)

Molar Mass: 328.328

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 328.117155011
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey MHXNSOQJUAPLIZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.3
Topological Polar Surface Area 114.23
Polarizability 32.08
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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