tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate

C15H22N2O4 — CID 165498868

IUPACtert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
SMILESCC(C)OCC(=O)c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)20-9-12(18)11-7-6-8-16-13(11)17-14(19)21-15(3,4)5/h6-8,10H,9H2,1-5H3,(H,16,17,19)
InChIKeyYCSQLXSIUAWGNX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate

tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate (PubChem CID 165498868) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
PubChem CID165498868
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
SMILESCC(C)OCC(=O)c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)20-9-12(18)11-7-6-8-16-13(11)17-14(19)21-15(3,4)5/h6-8,10H,9H2,1-5H3,(H,16,17,19)
InChIKeyYCSQLXSIUAWGNX-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
CID 70203259
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
CID 90044554
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate (CID 165498868) is tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate is CC(C)OCC(=O)c1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate?
The InChIKey is YCSQLXSIUAWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)20-9-12(18)11-7-6-8-16-13(11)17-14(19)21-15(3,4)5/h6-8,10H,9H2,1-5H3,(H,16,17,19).
What are the key properties of tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate?
tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 165498868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).