2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide

C15H21BrN2O2 — CID 8008576

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C15H21BrN2O2/c1-10-4-3-5-13(11(10)2)17-14(19)9-18-8-12(16)6-7-15(18)20/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,17,19)/t10-,11+,13-/m1/s1
InChIKeyJXFJKPHOWQWLAV-NTZNESFSSA-N
MW341.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 8008576) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID8008576
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C15H21BrN2O2/c1-10-4-3-5-13(11(10)2)17-14(19)9-18-8-12(16)6-7-15(18)20/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,17,19)/t10-,11+,13-/m1/s1
InChIKeyJXFJKPHOWQWLAV-NTZNESFSSA-N
XLogP2.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414346
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 124737330
2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 55763764
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 47028067
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide
CID 100632446
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
CID 104751175
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 11918533
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9434265

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide (CID 8008576) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is JXFJKPHOWQWLAV-NTZNESFSSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-4-3-5-13(11(10)2)17-14(19)9-18-8-12(16)6-7-15(18)20/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,17,19)/t10-,11+,13-/m1/s1.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 8008576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).