1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide

C16H24BrN3O — CID 133270425

IUPAC1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C16H24BrN3O/c1-3-5-12(2)19-16(21)13-6-4-9-20(11-13)15-8-7-14(17)10-18-15/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,21)
InChIKeyRYMUGGQJOFNHAC-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.37
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 133270425) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID133270425
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C16H24BrN3O/c1-3-5-12(2)19-16(21)13-6-4-9-20(11-13)15-8-7-14(17)10-18-15/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,21)
InChIKeyRYMUGGQJOFNHAC-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 41015611
1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133278220
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
(3S)-N-(4-bromophenyl)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105857
N-butan-2-yl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006551
1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 133270425) is 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2ccc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is RYMUGGQJOFNHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-5-12(2)19-16(21)13-6-4-9-20(11-13)15-8-7-14(17)10-18-15/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,21).
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 133270425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).