tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate

C12H18N2O3 — CID 22347558

IUPACtert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CCO)n1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-6-4-5-9(13-10)7-8-15/h4-6,15H,7-8H2,1-3H3,(H,13,14,16)
InChIKeyVZPRWWONPMXDGF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate

tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate (PubChem CID 22347558) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
PubChem CID22347558
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CCO)n1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-6-4-5-9(13-10)7-8-15/h4-6,15H,7-8H2,1-3H3,(H,13,14,16)
InChIKeyVZPRWWONPMXDGF-UHFFFAOYSA-N
XLogP1.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
methyl 3,3-dimethyl-4-[4-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]ethoxy]phenyl]butanoate
CID 12018747
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate
CID 59857996
tert-butyl N-[6-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]-2-pyridinyl]carbamate
CID 143574272
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
CID 24753872

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate (CID 22347558) is tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CCO)n1.
What is the InChIKey of tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate?
The InChIKey is VZPRWWONPMXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-6-4-5-9(13-10)7-8-15/h4-6,15H,7-8H2,1-3H3,(H,13,14,16).
What are the key properties of tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate?
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 22347558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).