tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane

C14H24N2O3 — CID 142453798

IUPACtert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)Nc1cc(CCO)ccn1
InChIInChI=1S/C12H18N2O3.C2H6/c1-12(2,3)17-11(16)14-10-8-9(5-7-15)4-6-13-10;1-2/h4,6,8,15H,5,7H2,1-3H3,(H,13,14,16);1-2H3
InChIKeyNCBQFNPNUGNLDY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane

tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane (PubChem CID 142453798) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
PubChem CID142453798
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)Nc1cc(CCO)ccn1
InChIInChI=1S/C12H18N2O3.C2H6/c1-12(2,3)17-11(16)14-10-8-9(5-7-15)4-6-13-10;1-2/h4,6,8,15H,5,7H2,1-3H3,(H,13,14,16);1-2H3
InChIKeyNCBQFNPNUGNLDY-UHFFFAOYSA-N
XLogP2.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]ethyl acetate
CID 139349598
1-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]butane-1-sulfonic acid
CID 174445090
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]butanedioic acid
CID 57303768
tert-butyl N-[4-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 68827357
tert-butyl N-[4-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 23080607
tert-butyl N-[4-[(4-carbonochloridoyl-4-fluoropiperidin-1-yl)methyl]-2-pyridinyl]carbamate
CID 58793956
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate
CID 58793975
tert-butyl N-[4-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-pyridinyl]carbamate
CID 71000664
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane (CID 142453798) is tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane is CC.CC(C)(C)OC(=O)Nc1cc(CCO)ccn1.
What is the InChIKey of tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane?
The InChIKey is NCBQFNPNUGNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C2H6/c1-12(2,3)17-11(16)14-10-8-9(5-7-15)4-6-13-10;1-2/h4,6,8,15H,5,7H2,1-3H3,(H,13,14,16);1-2H3.
What are the key properties of tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane?
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane has a molecular weight of 268.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane is sourced from PubChem (CID 142453798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).