tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate

C17H26N2O4 — CID 137450484

IUPACtert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOC1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-14-6-5-11-19(15(14)20)12-7-9-13(22-4)10-8-12/h5-6,11-13H,7-10H2,1-4H3,(H,18,21)
InChIKeyRMAQPNNZIAXWAK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.33
Rot. Bonds3

About tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450484) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450484
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOC1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-14-6-5-11-19(15(14)20)12-7-9-13(22-4)10-8-12/h5-6,11-13H,7-10H2,1-4H3,(H,18,21)
InChIKeyRMAQPNNZIAXWAK-UHFFFAOYSA-N
XLogP3.33
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] formate
CID 141675935
tert-butyl N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 170791719
2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 123222771
1-(4-Methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449049
1-(4-Methoxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449067
tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137449918
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137450548
Rel-3-amino-1-((1r,4r)-4-methoxycyclohexyl)pyridin-2(1H)-one
CID 137450551
tert-butyl N-[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137450559
tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate
CID 137450650
tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate
CID 137450731
tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate
CID 137450753

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate (CID 137450484) is tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate is COC1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1.
What is the InChIKey of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is RMAQPNNZIAXWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-14-6-5-11-19(15(14)20)12-7-9-13(22-4)10-8-12/h5-6,11-13H,7-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).