tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate

C12H19N3O3 — CID 86767458

IUPACtert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
SMILESCCOc1ccc(N)c(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O3/c1-5-17-9-7-6-8(13)10(14-9)15-11(16)18-12(2,3)4/h6-7H,5,13H2,1-4H3,(H,14,15,16)
InChIKeyHXZCIGYDZLPXBR-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate

tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate (PubChem CID 86767458) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
PubChem CID86767458
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
SMILESCCOc1ccc(N)c(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O3/c1-5-17-9-7-6-8(13)10(14-9)15-11(16)18-12(2,3)4/h6-7H,5,13H2,1-4H3,(H,14,15,16)
InChIKeyHXZCIGYDZLPXBR-UHFFFAOYSA-N
XLogP2.41
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
CID 67361421
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 68628541
ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 67356334
ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate
CID 110179683
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915
tert-butyl N-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]cyclohexyl]carbamate;ethyl 2-bromoacetate;ethyl 2-[[6-methoxy-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-3-pyridinyl]amino]acetate
CID 160506067

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate (CID 86767458) is tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate is CCOc1ccc(N)c(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate?
The InChIKey is HXZCIGYDZLPXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-17-9-7-6-8(13)10(14-9)15-11(16)18-12(2,3)4/h6-7H,5,13H2,1-4H3,(H,14,15,16).
What are the key properties of tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate?
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.41, 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-amino-6-ethoxy-2-pyridinyl)carbamate is sourced from PubChem (CID 86767458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).