5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C13H19BrN4O2 — CID 63707617

IUPAC5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H19BrN4O2/c1-18(8-9-2-4-20-5-3-9)13(19)11-6-10(14)7-16-12(11)17-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyZIUTTXIDCPVTOU-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.63
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 63707617) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID63707617
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H19BrN4O2/c1-18(8-9-2-4-20-5-3-9)13(19)11-6-10(14)7-16-12(11)17-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyZIUTTXIDCPVTOU-UHFFFAOYSA-N
XLogP1.63
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 63707617) is 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is CN(CC1CCOCC1)C(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZIUTTXIDCPVTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-18(8-9-2-4-20-5-3-9)13(19)11-6-10(14)7-16-12(11)17-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63707617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).