N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide

C11H14BrN3O — CID 102820657

IUPACN-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)N1CCCCC1
InChIInChI=1S/C11H14BrN3O/c12-9-4-5-13-10(8-9)14-11(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,13,14,16)
InChIKeyXNTGURXWXXULDM-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.86
Rot. Bonds1

About N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide

N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 102820657) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
PubChem CID102820657
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)N1CCCCC1
InChIInChI=1S/C11H14BrN3O/c12-9-4-5-13-10(8-9)14-11(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,13,14,16)
InChIKeyXNTGURXWXXULDM-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
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3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
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N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
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N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide (CID 102820657) is N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide is O=C(Nc1cc(Br)ccn1)N1CCCCC1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is XNTGURXWXXULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-9-4-5-13-10(8-9)14-11(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,13,14,16).
What are the key properties of N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide?
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 102820657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).