N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C12H19FN4O — CID 105387835

IUPACN-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H19FN4O/c1-3-5-8-17(4-2)12(18)9-6-7-15-11(16-14)10(9)13/h6-7H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyCHLMVDBXAQMLDQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.77
Rot. Bonds6

About N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105387835) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105387835
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H19FN4O/c1-3-5-8-17(4-2)12(18)9-6-7-15-11(16-14)10(9)13/h6-7H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyCHLMVDBXAQMLDQ-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387949
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388218
N-ethyl-3-fluoro-2-hydrazinyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105388008
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105388166
N-(2-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388610
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 105387848

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105387835) is N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide is CCCCN(CC)C(=O)c1ccnc(NN)c1F.
What is the InChIKey of N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is CHLMVDBXAQMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-5-8-17(4-2)12(18)9-6-7-15-11(16-14)10(9)13/h6-7H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105387835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).