(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C12H17BrN4O — CID 79187114

IUPAC(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)cnc2NN)CC1C
InChIInChI=1S/C12H17BrN4O/c1-7-5-17(6-8(7)2)12(18)10-3-9(13)4-15-11(10)16-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyPQFXMEGDMXNABX-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.86
Rot. Bonds2

About (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79187114) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79187114
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)cnc2NN)CC1C
InChIInChI=1S/C12H17BrN4O/c1-7-5-17(6-8(7)2)12(18)10-3-9(13)4-15-11(10)16-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyPQFXMEGDMXNABX-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.86
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)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596633
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540406
(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780192
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161789
[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464108
(5-bromo-2-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969257
[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172208
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63769333
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
(3S,4S)-1-(5-bromo-2-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085436

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79187114) is (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)c2cc(Br)cnc2NN)CC1C.
What is the InChIKey of (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is PQFXMEGDMXNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-7-5-17(6-8(7)2)12(18)10-3-9(13)4-15-11(10)16-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of (5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 313.20 g/mol, XLogP of 1.86, 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)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79187114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).