N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C14H15FN4O — CID 105387954

IUPACN-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(NN)c2F)c1
InChIInChI=1S/C14H15FN4O/c1-8-3-4-9(2)11(7-8)18-14(20)10-5-6-17-13(19-16)12(10)15/h3-7H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAJHOMHODWAZRIB-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.38
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105387954) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105387954
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(NN)c2F)c1
InChIInChI=1S/C14H15FN4O/c1-8-3-4-9(2)11(7-8)18-14(20)10-5-6-17-13(19-16)12(10)15/h3-7H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAJHOMHODWAZRIB-UHFFFAOYSA-N
XLogP2.38
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.38
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-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
N-(2,5-difluoro-4-methylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 103587401
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
N-(2-chloro-5-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 107631178
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
3-fluoro-N-(4-fluoro-2-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105388058
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
3-fluoro-2-hydrazinyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105388648

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105387954) is N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ccnc(NN)c2F)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is AJHOMHODWAZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-8-3-4-9(2)11(7-8)18-14(20)10-5-6-17-13(19-16)12(10)15/h3-7H,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105387954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).