N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide

C15H15FN2O — CID 63979948

IUPACN-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C15H15FN2O/c1-10-6-11(2)8-13(7-10)18(3)15(19)12-4-5-14(16)17-9-12/h4-9H,1-3H3
InChIKeyDLPFJAIXIAAFME-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.11
Rot. Bonds2

About N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide

N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 63979948) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
PubChem CID63979948
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C15H15FN2O/c1-10-6-11(2)8-13(7-10)18(3)15(19)12-4-5-14(16)17-9-12/h4-9H,1-3H3
InChIKeyDLPFJAIXIAAFME-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497746
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 63972005
N-(3,5-dimethylphenyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104640795
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
CID 103804135
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide (CID 63979948) is N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2ccc(F)nc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is DLPFJAIXIAAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-6-11(2)8-13(7-10)18(3)15(19)12-4-5-14(16)17-9-12/h4-9H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63979948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).