(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide

C11H14BrN3O2 — CID 129483763

IUPAC(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(c2ncccc2Br)C1
InChIInChI=1S/C11H14BrN3O2/c12-8-3-1-5-14-9(8)15-6-2-4-11(17,7-15)10(13)16/h1,3,5,17H,2,4,6-7H2,(H2,13,16)/t11-/m0/s1
InChIKeyVWOHKXBGLSCIGG-NSHDSACASA-N
MW300.16 g/mol
LogP0.66
Rot. Bonds2

About (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129483763) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129483763
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(c2ncccc2Br)C1
InChIInChI=1S/C11H14BrN3O2/c12-8-3-1-5-14-9(8)15-6-2-4-11(17,7-15)10(13)16/h1,3,5,17H,2,4,6-7H2,(H2,13,16)/t11-/m0/s1
InChIKeyVWOHKXBGLSCIGG-NSHDSACASA-N
XLogP0.66
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
CID 69227330
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129323035
1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 128964566
6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
CID 130994092
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 129483783
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
CID 167825204
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide (CID 129483763) is (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(c2ncccc2Br)C1.
What is the InChIKey of (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is VWOHKXBGLSCIGG-NSHDSACASA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-8-3-1-5-14-9(8)15-6-2-4-11(17,7-15)10(13)16/h1,3,5,17H,2,4,6-7H2,(H2,13,16)/t11-/m0/s1.
What are the key properties of (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129483763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).