(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C14H21BrN4O — CID 114596633

IUPAC(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C14H21BrN4O/c1-8-4-9(2)10(3)19(7-8)14(20)12-5-11(15)6-17-13(12)18-16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyTYZFRWBHBISLIO-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.64
Rot. Bonds2

About (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114596633) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114596633
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C14H21BrN4O/c1-8-4-9(2)10(3)19(7-8)14(20)12-5-11(15)6-17-13(12)18-16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyTYZFRWBHBISLIO-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187114
(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591779
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63769333
[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596554
(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594553
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62243989
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591834
(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593396
(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780192

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114596633) is (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is TYZFRWBHBISLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-8-4-9(2)10(3)19(7-8)14(20)12-5-11(15)6-17-13(12)18-16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 341.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114596633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).