5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

C12H17BrN4O2 — CID 102870609

IUPAC5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17BrN4O2/c13-8-6-10(11(16-14)15-7-8)12(19)17(4-5-18)9-2-1-3-9/h6-7,9,18H,1-5,14H2,(H,15,16)
InChIKeyBKTDOTRIRBATMZ-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.12
Rot. Bonds5

About 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 102870609) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID102870609
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17BrN4O2/c13-8-6-10(11(16-14)15-7-8)12(19)17(4-5-18)9-2-1-3-9/h6-7,9,18H,1-5,14H2,(H,15,16)
InChIKeyBKTDOTRIRBATMZ-UHFFFAOYSA-N
XLogP1.12
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.12
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

2-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62187031
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826
5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
CID 62241299
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62243989
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023
5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707617
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 62153959
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
N-cyclobutyl-4-hydrazinyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 102870612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 102870609) is 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is BKTDOTRIRBATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c13-8-6-10(11(16-14)15-7-8)12(19)17(4-5-18)9-2-1-3-9/h6-7,9,18H,1-5,14H2,(H,15,16).
What are the key properties of 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 102870609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).