N-(2H-1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide

N-(2H-1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide

Formula: C14H12N2O3

SMILES: O=C(NCC1=CC=C2OCOC2=C1)C1=CC=NC=C1

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]pyridine-4-carboxamide

InChI: InChI=1S/C14H12N2O3/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)

Composition: C (65.62%), H (4.72%), N (10.93%), O (18.73%)

Molar Mass: 256.261

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.084792254
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UQVOTJYRANFENB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.26
Topological Polar Surface Area	60.45
Polarizability	26.18
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H12N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00