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

C17H26N2O4 — CID 137449918

IUPACtert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOC1CCCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)C1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-14-9-6-10-19(15(14)20)12-7-5-8-13(11-12)22-4/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H,18,21)
InChIKeyDJCDBZFEPYPBPB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.33
Rot. Bonds3

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

tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137449918) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137449918
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOC1CCCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)C1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-14-9-6-10-19(15(14)20)12-7-5-8-13(11-12)22-4/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H,18,21)
InChIKeyDJCDBZFEPYPBPB-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate (CID 137449918) is tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate is COC1CCCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)C1.
What is the InChIKey of tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is DJCDBZFEPYPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-14-9-6-10-19(15(14)20)12-7-5-8-13(11-12)22-4/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(3-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-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137449918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).