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

C16H24N2O4 — CID 137457648

IUPACtert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@H]2CCCC[C@H]2O)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-11-7-6-10-18(14(11)20)12-8-4-5-9-13(12)19/h6-7,10,12-13,19H,4-5,8-9H2,1-3H3,(H,17,21)/t12-,13+/m0/s1
InChIKeyDEIHNXYXRFYRMQ-QWHCGFSZSA-N
MW308.38 g/mol
LogP2.67
Rot. Bonds2

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

tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137457648) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137457648
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@H]2CCCC[C@H]2O)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-11-7-6-10-18(14(11)20)12-8-4-5-9-13(12)19/h6-7,10,12-13,19H,4-5,8-9H2,1-3H3,(H,17,21)/t12-,13+/m0/s1
InChIKeyDEIHNXYXRFYRMQ-QWHCGFSZSA-N
XLogP2.67
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 123222771
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449089
tert-butyl N-[1-(3-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137449918
tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137450484
tert-butyl N-[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
CID 137450559
tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
CID 137450636
tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate
CID 137450650
tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
CID 137450708
tert-butyl N-[1-[(1R,2S)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137450800
tert-butyl N-[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137450818
tert-butyl N-[1-[(3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137450867
tert-butyl N-[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137457402

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate (CID 137457648) is tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@H]2CCCC[C@H]2O)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is DEIHNXYXRFYRMQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-11-7-6-10-18(14(11)20)12-8-4-5-9-13(12)19/h6-7,10,12-13,19H,4-5,8-9H2,1-3H3,(H,17,21)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).