5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide

C13H14BrN5O — CID 106937594

IUPAC5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(Br)cnc1NN)c1ccncc1
InChIInChI=1S/C13H14BrN5O/c1-2-19(10-3-5-16-6-4-10)13(20)11-7-9(14)8-17-12(11)18-15/h3-8H,2,15H2,1H3,(H,17,18)
InChIKeyAYVRUKCOWLVRHA-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.19
Rot. Bonds4

About 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide

5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 106937594) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID106937594
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(Br)cnc1NN)c1ccncc1
InChIInChI=1S/C13H14BrN5O/c1-2-19(10-3-5-16-6-4-10)13(20)11-7-9(14)8-17-12(11)18-15/h3-8H,2,15H2,1H3,(H,17,18)
InChIKeyAYVRUKCOWLVRHA-UHFFFAOYSA-N
XLogP2.19
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.19
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-N-ethyl-N-(4-fluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236094
5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 113236092
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
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
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide (CID 106937594) is 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide is CCN(C(=O)c1cc(Br)cnc1NN)c1ccncc1.
What is the InChIKey of 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is AYVRUKCOWLVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-2-19(10-3-5-16-6-4-10)13(20)11-7-9(14)8-17-12(11)18-15/h3-8H,2,15H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide?
5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 106937594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).