5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide

C11H17BrN4O2 — CID 62236996

IUPAC5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C11H17BrN4O2/c1-7(6-18-3)16(2)11(17)9-4-8(12)5-14-10(9)15-13/h4-5,7H,6,13H2,1-3H3,(H,14,15)
InChIKeyLWMAJHBETZLBCO-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.24
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide (PubChem CID 62236996) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
PubChem CID62236996
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C11H17BrN4O2/c1-7(6-18-3)16(2)11(17)9-4-8(12)5-14-10(9)15-13/h4-5,7H,6,13H2,1-3H3,(H,14,15)
InChIKeyLWMAJHBETZLBCO-UHFFFAOYSA-N
XLogP1.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.24
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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Related Compounds

5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236454
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
5-bromo-N-ethyl-N-(4-fluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236094
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-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63838972
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide (CID 62236996) is 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide is COCC(C)N(C)C(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is LWMAJHBETZLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-7(6-18-3)16(2)11(17)9-4-8(12)5-14-10(9)15-13/h4-5,7H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 317.19 g/mol, XLogP of 1.24, 5 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-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62236996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).