5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide

C13H21BrN4O — CID 63838972

IUPAC5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H21BrN4O/c1-4-9(5-2)8(3)17-13(19)11-6-10(14)7-16-12(11)18-15/h6-9H,4-5,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJPSKPFMNNUTVIF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.68
Rot. Bonds6

About 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 63838972) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID63838972
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H21BrN4O/c1-4-9(5-2)8(3)17-13(19)11-6-10(14)7-16-12(11)18-15/h6-9H,4-5,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJPSKPFMNNUTVIF-UHFFFAOYSA-N
XLogP2.68
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.68
H-Bond Donors ≤ 53
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-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63837381
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62248977
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242574
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62406728
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
CID 62238273
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide (CID 63838972) is 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide is CCC(CC)C(C)NC(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is JPSKPFMNNUTVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-4-9(5-2)8(3)17-13(19)11-6-10(14)7-16-12(11)18-15/h6-9H,4-5,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 63838972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).