3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

C12H12FN5O — CID 105387848

IUPAC3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESNNc1nccc(C(=O)NCc2ccncc2)c1F
InChIInChI=1S/C12H12FN5O/c13-10-9(3-6-16-11(10)18-14)12(19)17-7-8-1-4-15-5-2-8/h1-6H,7,14H2,(H,16,18)(H,17,19)
InChIKeyBYHJYVJYWZOTOC-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.83
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 105387848) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID105387848
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESNNc1nccc(C(=O)NCc2ccncc2)c1F
InChIInChI=1S/C12H12FN5O/c13-10-9(3-6-16-11(10)18-14)12(19)17-7-8-1-4-15-5-2-8/h1-6H,7,14H2,(H,16,18)(H,17,19)
InChIKeyBYHJYVJYWZOTOC-UHFFFAOYSA-N
XLogP0.83
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.83
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

N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388066
3-fluoro-2-hydrazinyl-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 105387918
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387949
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106241316
N-(3-cyclopentylpropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106012747
N-[2-(ethylsulfamoyl)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106340899
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 110851489
3-fluoro-N-(3-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387962

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 105387848) is 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is NNc1nccc(C(=O)NCc2ccncc2)c1F.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BYHJYVJYWZOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c13-10-9(3-6-16-11(10)18-14)12(19)17-7-8-1-4-15-5-2-8/h1-6H,7,14H2,(H,16,18)(H,17,19).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105387848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).