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

C17H26N2O4 — CID 137450800

IUPACtert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@H]1CCCC[C@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-12-8-7-11-19(15(12)20)13-9-5-6-10-14(13)22-4/h7-8,11,13-14H,5-6,9-10H2,1-4H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyLECWXUYBCZSVED-KGLIPLIRSA-N
MW322.41 g/mol
LogP3.33
Rot. Bonds3

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

tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450800) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450800
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@H]1CCCC[C@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-12-8-7-11-19(15(12)20)13-9-5-6-10-14(13)22-4/h7-8,11,13-14H,5-6,9-10H2,1-4H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyLECWXUYBCZSVED-KGLIPLIRSA-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

Analyze tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate with MolForge

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Related Compounds

1-[(1R,2S)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449052
1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449065
tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137449918
tert-butyl N-[1-[(2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
CID 137450070
tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137450484
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137450548
3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
CID 137450550
tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate
CID 137450650
tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
CID 137450686
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
tert-butyl N-[1-[(3S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450784

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate (CID 137450800) is tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate is CO[C@H]1CCCC[C@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is LECWXUYBCZSVED-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-12-8-7-11-19(15(12)20)13-9-5-6-10-14(13)22-4/h7-8,11,13-14H,5-6,9-10H2,1-4H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1R,2S)-2-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-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).