3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C14H16BrN5O2 — CID 154737493

IUPAC3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C14H16BrN5O2/c1-9-11(7-12(15)13(21)17-9)14(22)19-5-2-3-10(8-19)20-6-4-16-18-20/h4,6-7,10H,2-3,5,8H2,1H3,(H,17,21)
InChIKeyCYTYUYYUAGDOLX-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.51
Rot. Bonds2

About 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 154737493) has the molecular formula C14H16BrN5O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID154737493
Molecular FormulaC14H16BrN5O2
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC Name3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C14H16BrN5O2/c1-9-11(7-12(15)13(21)17-9)14(22)19-5-2-3-10(8-19)20-6-4-16-18-20/h4,6-7,10H,2-3,5,8H2,1H3,(H,17,21)
InChIKeyCYTYUYYUAGDOLX-UHFFFAOYSA-N
XLogP1.51
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 128892235
(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 136565445
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(5-chloro-2-methoxyphenyl)-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877296
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one
CID 146108009
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 154737493) is 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC(n2ccnn2)C1.
What is the InChIKey of 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CYTYUYYUAGDOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O2/c1-9-11(7-12(15)13(21)17-9)14(22)19-5-2-3-10(8-19)20-6-4-16-18-20/h4,6-7,10H,2-3,5,8H2,1H3,(H,17,21).
What are the key properties of 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 366.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 154737493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).