5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide

C15H25BrN4O — CID 79487064

IUPAC5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C15H25BrN4O/c1-5-12(6-2)20(9-10(3)4)15(21)13-7-11(16)8-18-14(13)19-17/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyZYJVJONBZYQPNF-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.42
Rot. Bonds7

About 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 79487064) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID79487064
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C15H25BrN4O/c1-5-12(6-2)20(9-10(3)4)15(21)13-7-11(16)8-18-14(13)19-17/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyZYJVJONBZYQPNF-UHFFFAOYSA-N
XLogP3.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.42
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

2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
CID 62241299
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996
5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63838972
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937594
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242574
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
5-bromo-N-ethyl-N-(4-fluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236094
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide (CID 79487064) is 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is ZYJVJONBZYQPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-5-12(6-2)20(9-10(3)4)15(21)13-7-11(16)8-18-14(13)19-17/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 357.30 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 79487064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).