3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one

C14H21BrN2O — CID 114761550

IUPAC3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCCC(NCCn2cccc(Br)c2=O)C1
InChIInChI=1S/C14H21BrN2O/c1-11-4-2-5-12(10-11)16-7-9-17-8-3-6-13(15)14(17)18/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3
InChIKeyDFXYLMCZIMFQGP-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds4

About 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one

3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one (PubChem CID 114761550) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
PubChem CID114761550
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCCC(NCCn2cccc(Br)c2=O)C1
InChIInChI=1S/C14H21BrN2O/c1-11-4-2-5-12(10-11)16-7-9-17-8-3-6-13(15)14(17)18/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3
InChIKeyDFXYLMCZIMFQGP-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761535
5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 63777990
4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 114217446
5-fluoro-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 55220462
1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one
CID 82898063
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 102685572
N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
CID 43078302
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762
N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine
CID 174893168
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 55024069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one (CID 114761550) is 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one is CC1CCCC(NCCn2cccc(Br)c2=O)C1.
What is the InChIKey of 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The InChIKey is DFXYLMCZIMFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-4-2-5-12(10-11)16-7-9-17-8-3-6-13(15)14(17)18/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3.
What are the key properties of 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one?
3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one has a molecular weight of 313.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 114761550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).