N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C12H19FN4O — CID 105388598

IUPACN-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NN)c1F)C(C)(C)C
InChIInChI=1S/C12H19FN4O/c1-7(12(2,3)4)16-11(18)8-5-6-15-10(17-14)9(8)13/h5-7H,14H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyLOBDSDPLDHGXIP-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.67
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105388598) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105388598
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NN)c1F)C(C)(C)C
InChIInChI=1S/C12H19FN4O/c1-7(12(2,3)4)16-11(18)8-5-6-15-10(17-14)9(8)13/h5-7H,14H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyLOBDSDPLDHGXIP-UHFFFAOYSA-N
XLogP1.67
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
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-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388576
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105388578
3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 105388398
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914
N-(2-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388610
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105388132
3-fluoro-2-hydrazinyl-N-(3-methylcyclobutyl)pyridine-4-carboxamide
CID 105388602

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105388598) is N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is CC(NC(=O)c1ccnc(NN)c1F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is LOBDSDPLDHGXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-7(12(2,3)4)16-11(18)8-5-6-15-10(17-14)9(8)13/h5-7H,14H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105388598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).