N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C12H19FN4O — CID 105388218

IUPACN-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCCC(C)N(CC)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H19FN4O/c1-4-8(3)17(5-2)12(18)9-6-7-15-11(16-14)10(9)13/h6-8H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyPJTWPTFTXLXIMA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.77
Rot. Bonds5

About N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105388218) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105388218
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCCC(C)N(CC)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H19FN4O/c1-4-8(3)17(5-2)12(18)9-6-7-15-11(16-14)10(9)13/h6-8H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyPJTWPTFTXLXIMA-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387835
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105388166
N-ethyl-3-fluoro-2-hydrazinyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105388008
N-(2-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388610
N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387949
2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105384763
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105388218) is N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide is CCC(C)N(CC)C(=O)c1ccnc(NN)c1F.
What is the InChIKey of N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is PJTWPTFTXLXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-4-8(3)17(5-2)12(18)9-6-7-15-11(16-14)10(9)13/h6-8H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105388218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).