5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide

C11H13BrN2O2 — CID 62954380

IUPAC5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2O2/c12-8-1-2-10(13-7-8)11(15)14-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2,(H,14,15)
InChIKeyYVJKTRVDXNMVHN-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide

5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 62954380) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID62954380
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2O2/c12-8-1-2-10(13-7-8)11(15)14-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2,(H,14,15)
InChIKeyYVJKTRVDXNMVHN-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10608271
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CID 2466151
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CID 2964204
N-[4-(pyridine-2-carbonylamino)butyl]pyridine-2-carboxamide
CID 3152209
N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide
CID 647219
5-Bromo-N-methylpyridine-2-carboxamide
CID 22831620
N-{5-[(2-pyridinylcarbonyl)amino]pentyl}-2-pyridinecarboxamide
CID 3152211
5-Bromopyridine-2-carboxamide
CID 735151
N-[3-[(4-bromobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2988158
N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride
CID 6602987
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-(2-Hydroxyethyl)picolinamide
CID 2045999

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide (CID 62954380) is 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide is O=C(NC1CCOCC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is YVJKTRVDXNMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-1-2-10(13-7-8)11(15)14-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2,(H,14,15).
What are the key properties of 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide?
5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62954380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).