6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide

C16H24BrN3O — CID 166914872

IUPAC6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cc(Br)nc(C(=O)NCCC2CCNCC2)c1
InChIInChI=1S/C16H24BrN3O/c1-11(2)13-9-14(20-15(17)10-13)16(21)19-8-5-12-3-6-18-7-4-12/h9-12,18H,3-8H2,1-2H3,(H,19,21)
InChIKeySSNDGCTYBPEVGS-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.09
Rot. Bonds5

About 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide

6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide (PubChem CID 166914872) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide
PubChem CID166914872
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cc(Br)nc(C(=O)NCCC2CCNCC2)c1
InChIInChI=1S/C16H24BrN3O/c1-11(2)13-9-14(20-15(17)10-13)16(21)19-8-5-12-3-6-18-7-4-12/h9-12,18H,3-8H2,1-2H3,(H,19,21)
InChIKeySSNDGCTYBPEVGS-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide
CID 90238996
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163
4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 119536441
4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119536440
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63622674
5-methyl-2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 119537574
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
CID 176985779
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide (CID 166914872) is 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide is CC(C)c1cc(Br)nc(C(=O)NCCC2CCNCC2)c1.
What is the InChIKey of 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SSNDGCTYBPEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(2)13-9-14(20-15(17)10-13)16(21)19-8-5-12-3-6-18-7-4-12/h9-12,18H,3-8H2,1-2H3,(H,19,21).
What are the key properties of 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide?
6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 166914872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).