5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide

C10H15BrN4O — CID 62238273

IUPAC5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C10H15BrN4O/c1-10(2,3)14-9(16)7-4-6(11)5-13-8(7)15-12/h4-5H,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFKYKZTFXNLGOTR-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.66
Rot. Bonds2

About 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62238273) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
PubChem CID62238273
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C10H15BrN4O/c1-10(2,3)14-9(16)7-4-6(11)5-13-8(7)15-12/h4-5H,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFKYKZTFXNLGOTR-UHFFFAOYSA-N
XLogP1.66
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide (CID 62238273) is 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide is CC(C)(C)NC(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is FKYKZTFXNLGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-10(2,3)14-9(16)7-4-6(11)5-13-8(7)15-12/h4-5H,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62238273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).