2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

C13H17BrN2O3 — CID 94414346

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H17BrN2O3/c14-9-5-6-13(19)16(7-9)8-12(18)15-10-3-1-2-4-11(10)17/h5-7,10-11,17H,1-4,8H2,(H,15,18)/t10-,11-/m1/s1
InChIKeyKJZWKFBMVDCFIZ-GHMZBOCLSA-N
MW329.19 g/mol
LogP1.03
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (PubChem CID 94414346) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
PubChem CID94414346
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H17BrN2O3/c14-9-5-6-13(19)16(7-9)8-12(18)15-10-3-1-2-4-11(10)17/h5-7,10-11,17H,1-4,8H2,(H,15,18)/t10-,11-/m1/s1
InChIKeyKJZWKFBMVDCFIZ-GHMZBOCLSA-N
XLogP1.03
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449089
1-(4-Hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449098
1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457479
3-(Ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one
CID 137457481
3-amino-1-[(1S,2R)-2-hydroxycyclohexyl]pyridin-2-one
CID 137457649
3-amino-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one
CID 137457843
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139383690
1-[(1R,2S)-2-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139383912
1-(4-Hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383928
3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one
CID 139425521
3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
CID 139425563
3-amino-1-[(2S)-2-hydroxycyclohexyl]pyridin-2-one
CID 145773734

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (CID 94414346) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The InChIKey is KJZWKFBMVDCFIZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-9-5-6-13(19)16(7-9)8-12(18)15-10-3-1-2-4-11(10)17/h5-7,10-11,17H,1-4,8H2,(H,15,18)/t10-,11-/m1/s1.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide has a molecular weight of 329.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 94414346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).