N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide

C16H17FN2O — CID 115497103

IUPACN-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C16H17FN2O/c1-3-12-7-9-13(10-8-12)11-19(2)16(20)14-5-4-6-15(17)18-14/h4-10H,3,11H2,1-2H3
InChIKeyLRLUPMHSXJWLLU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide

N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 115497103) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID115497103
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C16H17FN2O/c1-3-12-7-9-13(10-8-12)11-19(2)16(20)14-5-4-6-15(17)18-14/h4-10H,3,11H2,1-2H3
InChIKeyLRLUPMHSXJWLLU-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.06
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

N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
CID 115497697
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62238406
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 115497103) is N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide is CCc1ccc(CN(C)C(=O)c2cccc(F)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is LRLUPMHSXJWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-12-7-9-13(10-8-12)11-19(2)16(20)14-5-4-6-15(17)18-14/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115497103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).