5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide

C13H20BrN5O — CID 62237445

IUPAC5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C13H20BrN5O/c1-2-19-4-3-9(8-19)6-17-13(20)11-5-10(14)7-16-12(11)18-15/h5,7,9H,2-4,6,8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyHXODQVLRYMVXPE-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.20
Rot. Bonds5

About 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62237445) has the molecular formula C13H20BrN5O and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
PubChem CID62237445
Molecular FormulaC13H20BrN5O
Molecular Weight342.24 g/mol
Exact Mass341.09
IUPAC Name5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C13H20BrN5O/c1-2-19-4-3-9(8-19)6-17-13(20)11-5-10(14)7-16-12(11)18-15/h5,7,9H,2-4,6,8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyHXODQVLRYMVXPE-UHFFFAOYSA-N
XLogP1.20
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62238368
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235486
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62237077
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide (CID 62237445) is 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide is CCN1CCC(CNC(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is HXODQVLRYMVXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O/c1-2-19-4-3-9(8-19)6-17-13(20)11-5-10(14)7-16-12(11)18-15/h5,7,9H,2-4,6,8,15H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).