N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide

C15H15FN2O — CID 115497746

IUPACN-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cccc(F)n2)c1
InChIInChI=1S/C15H15FN2O/c1-10-7-11(2)9-12(8-10)18(3)15(19)13-5-4-6-14(16)17-13/h4-9H,1-3H3
InChIKeyPVMCYPGSNBJEGM-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.11
Rot. Bonds2

About N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide

N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 115497746) 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-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID115497746
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cccc(F)n2)c1
InChIInChI=1S/C15H15FN2O/c1-10-7-11(2)9-12(8-10)18(3)15(19)13-5-4-6-14(16)17-13/h4-9H,1-3H3
InChIKeyPVMCYPGSNBJEGM-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-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 62240518
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
N-(3-aminophenyl)-N,6-dimethylpyridine-2-carboxamide
CID 61297130
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
N-(3,5-dimethylphenyl)-N-methyl-2H-triazole-4-carboxamide
CID 47356365
N-(3,5-dimethylphenyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104640795
N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498309
N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497458
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
CID 115497697
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide (CID 115497746) is N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2cccc(F)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is PVMCYPGSNBJEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-7-11(2)9-12(8-10)18(3)15(19)13-5-4-6-14(16)17-13/h4-9H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-2-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-2-carboxamide is sourced from PubChem (CID 115497746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).