1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide

C12H16BrN3O — CID 90774248

IUPAC1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide
SMILESCc1cncc(Br)c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H16BrN3O/c1-8-6-15-7-10(13)11(8)16-4-2-9(3-5-16)12(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)
InChIKeyBLJZFKDZSPKXHM-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.85
Rot. Bonds2

About 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide

1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 90774248) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID90774248
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide
SMILESCc1cncc(Br)c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H16BrN3O/c1-8-6-15-7-10(13)11(8)16-4-2-9(3-5-16)12(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)
InChIKeyBLJZFKDZSPKXHM-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide (CID 90774248) is 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide is Cc1cncc(Br)c1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is BLJZFKDZSPKXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-6-15-7-10(13)11(8)16-4-2-9(3-5-16)12(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17).
What are the key properties of 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide?
1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 90774248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).