5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide

C12H19BrN4O2 — CID 107204449

IUPAC5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCCCCO)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O2/c1-17(5-3-2-4-6-18)12(19)10-7-9(13)8-15-11(10)16-14/h7-8,18H,2-6,14H2,1H3,(H,15,16)
InChIKeyAXLJIVNTMNCERB-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.36
Rot. Bonds7

About 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide (PubChem CID 107204449) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
PubChem CID107204449
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCCCCO)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O2/c1-17(5-3-2-4-6-18)12(19)10-7-9(13)8-15-11(10)16-14/h7-8,18H,2-6,14H2,1H3,(H,15,16)
InChIKeyAXLJIVNTMNCERB-UHFFFAOYSA-N
XLogP1.36
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 102870609
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707617
5-bromo-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114953304
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064
5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide (CID 107204449) is 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide is CN(CCCCCO)C(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
The InChIKey is AXLJIVNTMNCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-17(5-3-2-4-6-18)12(19)10-7-9(13)8-15-11(10)16-14/h7-8,18H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 1.36, 7 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-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 107204449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).