(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide

C12H16BrN3O2 — CID 129323035

IUPAC(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC[C@@](O)(C(N)=O)C1
InChIInChI=1S/C12H16BrN3O2/c1-8-5-9(13)6-15-10(8)16-4-2-3-12(18,7-16)11(14)17/h5-6,18H,2-4,7H2,1H3,(H2,14,17)/t12-/m0/s1
InChIKeyLYBMMTLLUJTOLK-LBPRGKRZSA-N
MW314.18 g/mol
LogP0.97
Rot. Bonds2

About (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129323035) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129323035
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC[C@@](O)(C(N)=O)C1
InChIInChI=1S/C12H16BrN3O2/c1-8-5-9(13)6-15-10(8)16-4-2-3-12(18,7-16)11(14)17/h5-6,18H,2-4,7H2,1H3,(H2,14,17)/t12-/m0/s1
InChIKeyLYBMMTLLUJTOLK-LBPRGKRZSA-N
XLogP0.97
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 128964566
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
CID 100647448
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
4-(5-bromo-3-methyl-2-pyridinyl)-1,4-thiazepane 1,1-dioxide
CID 103757043
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 107393029
1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol
CID 79718642
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide (CID 129323035) is (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide is Cc1cc(Br)cnc1N1CCC[C@@](O)(C(N)=O)C1.
What is the InChIKey of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is LYBMMTLLUJTOLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8-5-9(13)6-15-10(8)16-4-2-3-12(18,7-16)11(14)17/h5-6,18H,2-4,7H2,1H3,(H2,14,17)/t12-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129323035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).