N-cyano-5-fluoro-N-methylpyridine-2-carboxamide

C8H6FN3O — CID 130605397

IUPACN-cyano-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C#N)C(=O)c1ccc(F)cn1
InChIInChI=1S/C8H6FN3O/c1-12(5-10)8(13)7-3-2-6(9)4-11-7/h2-4H,1H3
InChIKeyHQDXIOAPQVQUBU-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.77
Rot. Bonds1

About N-cyano-5-fluoro-N-methylpyridine-2-carboxamide

N-cyano-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 130605397) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is N-cyano-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyano-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID130605397
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC NameN-cyano-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C#N)C(=O)c1ccc(F)cn1
InChIInChI=1S/C8H6FN3O/c1-12(5-10)8(13)7-3-2-6(9)4-11-7/h2-4H,1H3
InChIKeyHQDXIOAPQVQUBU-UHFFFAOYSA-N
XLogP0.77
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid
CID 104638217
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639471
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
2-[tert-butyl-(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 113435829
5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 12640237
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496

Frequently Asked Questions

What is the IUPAC name of N-cyano-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-cyano-5-fluoro-N-methylpyridine-2-carboxamide (CID 130605397) is N-cyano-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyano-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyano-5-fluoro-N-methylpyridine-2-carboxamide is CN(C#N)C(=O)c1ccc(F)cn1.
What is the InChIKey of N-cyano-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is HQDXIOAPQVQUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c1-12(5-10)8(13)7-3-2-6(9)4-11-7/h2-4H,1H3.
What are the key properties of N-cyano-5-fluoro-N-methylpyridine-2-carboxamide?
N-cyano-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 179.15 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 130605397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).