tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate

C15H19N3O3 — CID 177357457

IUPACtert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2ccoc2)c(N)cn1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)21-14(19)18-7-11-6-12(13(16)8-17-11)10-4-5-20-9-10/h4-6,8-9H,7,16H2,1-3H3,(H,18,19)
InChIKeyWXAQGLBNHKKSHG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate (PubChem CID 177357457) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate
PubChem CID177357457
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nametert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2ccoc2)c(N)cn1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)21-14(19)18-7-11-6-12(13(16)8-17-11)10-4-5-20-9-10/h4-6,8-9H,7,16H2,1-3H3,(H,18,19)
InChIKeyWXAQGLBNHKKSHG-UHFFFAOYSA-N
XLogP2.95
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[3-[4-(furan-3-yl)-3-pyridinyl]prop-2-ynyl]carbamate
CID 150794134
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719795
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
CID 166103677
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate
CID 23551937
tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719888
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate (CID 177357457) is tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(-c2ccoc2)c(N)cn1.
What is the InChIKey of tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate?
The InChIKey is WXAQGLBNHKKSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,3)21-14(19)18-7-11-6-12(13(16)8-17-11)10-4-5-20-9-10/h4-6,8-9H,7,16H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate has a molecular weight of 289.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 177357457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).