5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C12H18BrN5O — CID 62238368

IUPAC5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C12H18BrN5O/c1-18-3-2-8(7-18)5-16-12(19)10-4-9(13)6-15-11(10)17-14/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyMLDXEVFVXQTIPE-UHFFFAOYSA-N
MW328.21 g/mol
LogP0.81
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 62238368) has the molecular formula C12H18BrN5O and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID62238368
Molecular FormulaC12H18BrN5O
Molecular Weight328.21 g/mol
Exact Mass327.07
IUPAC Name5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C12H18BrN5O/c1-18-3-2-8(7-18)5-16-12(19)10-4-9(13)6-15-11(10)17-14/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyMLDXEVFVXQTIPE-UHFFFAOYSA-N
XLogP0.81
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.81
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-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62237445
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235486
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
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
4-hydrazinyl-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 113400240
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 62238368) is 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is CN1CCC(CNC(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MLDXEVFVXQTIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5O/c1-18-3-2-8(7-18)5-16-12(19)10-4-9(13)6-15-11(10)17-14/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62238368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).