tert-butyl N-(6-{[(tert-butoxycarbonyl)amino]methyl}pyridin-3-yl)carbamate

tert-butyl N-(6-{[(tert-butoxycarbonyl)amino]methyl}pyridin-3-yl)carbamate

CAS: 1456821-59-2

Formula: C16H25N3O4

SMILES: CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)OC(C)(C)C)C=N1

IUPAC: tert-butyl N-[6-({[(tert-butoxy)carbonyl]amino}methyl)pyridin-3-yl]carbamate

InChI: InChI=1S/C16H25N3O4/c1-15(2,3)22-13(20)18-9-11-7-8-12(10-17-11)19-14(21)23-16(4,5)6/h7-8,10H,9H2,1-6H3,(H,18,20)(H,19,21)

Composition: C (59.42%), H (7.79%), N (12.99%), O (19.79%)

Molar Mass: 323.393

Atom Count: 48

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	323.184506297
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AJARLUKZOXRFEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.02
Topological Polar Surface Area	89.55
Polarizability	33.51
Ring Count	1
Rotatable Bond Count	7

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