tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate

C13H21N3O2 — CID 53338914

IUPACtert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1cncc(N)c1
InChIInChI=1S/C13H21N3O2/c1-9(2)16(12(17)18-13(3,4)5)11-6-10(14)7-15-8-11/h6-9H,14H2,1-5H3
InChIKeyYACGIGRZXDQGBY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate

tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate (PubChem CID 53338914) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate
PubChem CID53338914
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1cncc(N)c1
InChIInChI=1S/C13H21N3O2/c1-9(2)16(12(17)18-13(3,4)5)11-6-10(14)7-15-8-11/h6-9H,14H2,1-5H3
InChIKeyYACGIGRZXDQGBY-UHFFFAOYSA-N
XLogP2.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
CID 154665114
tert-butyl N-amino-N-pyrimidin-5-ylcarbamate
CID 118992220
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
tert-butyl N-[(3-amino-5-methylphenyl)methyl]-N-propan-2-ylcarbamate
CID 69080435
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
tert-butyl N-(3-aminophenyl)-N-(methylamino)carbamate
CID 175309099
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22265925
tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate
CID 172594101
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl N-(3-amino-4-propan-2-ylphenyl)-N-methylcarbamate
CID 158285099

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate (CID 53338914) is tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)c1cncc(N)c1.
What is the InChIKey of tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate?
The InChIKey is YACGIGRZXDQGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16(12(17)18-13(3,4)5)11-6-10(14)7-15-8-11/h6-9H,14H2,1-5H3.
What are the key properties of tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate?
tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 53338914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).