1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide

C12H16BrN3O2 — CID 128964566

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C12H16BrN3O2/c1-8-5-9(13)6-15-10(8)16-4-2-3-12(18,7-16)11(14)17/h5-6,18H,2-4,7H2,1H3,(H2,14,17)
InChIKeyLYBMMTLLUJTOLK-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.97
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide

1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964566) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID128964566
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C12H16BrN3O2/c1-8-5-9(13)6-15-10(8)16-4-2-3-12(18,7-16)11(14)17/h5-6,18H,2-4,7H2,1H3,(H2,14,17)
InChIKeyLYBMMTLLUJTOLK-UHFFFAOYSA-N
XLogP0.97
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide (CID 128964566) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide is Cc1cc(Br)cnc1N1CCCC(O)(C(N)=O)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is LYBMMTLLUJTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8-5-9(13)6-15-10(8)16-4-2-3-12(18,7-16)11(14)17/h5-6,18H,2-4,7H2,1H3,(H2,14,17).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).