tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate

C21H27N3O3 — CID 71156227

IUPACtert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCc2c(Oc3ccc(N)cn3)cccc21
InChIInChI=1S/C21H27N3O3/c1-21(2,3)27-20(25)24-12-14-6-4-8-17-16(14)7-5-9-18(17)26-19-11-10-15(22)13-23-19/h5,7,9-11,13-14H,4,6,8,12,22H2,1-3H3,(H,24,25)
InChIKeyMOCWCTGNNIENNU-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.40
Rot. Bonds4

About tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate

tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate (PubChem CID 71156227) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
PubChem CID71156227
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nametert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCc2c(Oc3ccc(N)cn3)cccc21
InChIInChI=1S/C21H27N3O3/c1-21(2,3)27-20(25)24-12-14-6-4-8-17-16(14)7-5-9-18(17)26-19-11-10-15(22)13-23-19/h5,7,9-11,13-14H,4,6,8,12,22H2,1-3H3,(H,24,25)
InChIKeyMOCWCTGNNIENNU-UHFFFAOYSA-N
XLogP4.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate with MolForge

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Related Compounds

N-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]acetamide
CID 10247391
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
6-(2,3-Dimethylphenoxy)pyridin-3-amine
CID 2800167
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030
[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11782656
[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 44358574
2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 4827681
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-phenylurea
CID 68533690
US9872852, Example 217
CID 121452784
N-(pyridin-3-yl)-3-(3-methoxyphenyl)-4-methoxybenzylamine
CID 141732272
(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11758776
Rac-3-((2,3-dimethylphenoxy)(piperidin-4-yl)methyl)pyridine
CID 45268898

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate (CID 71156227) is tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCc2c(Oc3ccc(N)cn3)cccc21.
What is the InChIKey of tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
The InChIKey is MOCWCTGNNIENNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-21(2,3)27-20(25)24-12-14-6-4-8-17-16(14)7-5-9-18(17)26-19-11-10-15(22)13-23-19/h5,7,9-11,13-14H,4,6,8,12,22H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[(5-amino-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate is sourced from PubChem (CID 71156227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).