tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate

C16H19N3O3 — CID 57387079

IUPACtert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2ccc(N)cn2)c1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)19-12-5-4-6-13(9-12)21-14-8-7-11(17)10-18-14/h4-10H,17H2,1-3H3,(H,19,20)
InChIKeyIGAUNWDVUDXAAF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate

tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate (PubChem CID 57387079) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
PubChem CID57387079
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nametert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2ccc(N)cn2)c1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)19-12-5-4-6-13(9-12)21-14-8-7-11(17)10-18-14/h4-10H,17H2,1-3H3,(H,19,20)
InChIKeyIGAUNWDVUDXAAF-UHFFFAOYSA-N
XLogP3.80
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
CID 90378489
tert-butyl N-[3-(4-amino-2-chlorophenoxy)phenyl]carbamate
CID 69161019
tert-butyl N-[3-[[4-(ethylamino)-5-nitro-2-pyridinyl]oxy]phenyl]carbamate
CID 68871818
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
CID 69411937
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
tert-butyl N-[3-[4-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]carbamate
CID 156717684
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
tert-butyl N-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 87629672

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate (CID 57387079) is tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(N)cn2)c1.
What is the InChIKey of tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate?
The InChIKey is IGAUNWDVUDXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,3)22-15(20)19-12-5-4-6-13(9-12)21-14-8-7-11(17)10-18-14/h4-10H,17H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate?
tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate is sourced from PubChem (CID 57387079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).