N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide

C15H15FN2O — CID 136529873

IUPACN-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)c1ccc(F)cn1
InChIInChI=1S/C15H15FN2O/c1-2-11-5-3-4-6-12(11)9-18-15(19)14-8-7-13(16)10-17-14/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyWUMRGFNZFMLDNZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.71
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide

N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide (PubChem CID 136529873) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
PubChem CID136529873
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)c1ccc(F)cn1
InChIInChI=1S/C15H15FN2O/c1-2-11-5-3-4-6-12(11)9-18-15(19)14-8-7-13(16)10-17-14/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyWUMRGFNZFMLDNZ-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 104638035
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide (CID 136529873) is N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide is CCc1ccccc1CNC(=O)c1ccc(F)cn1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is WUMRGFNZFMLDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-2-11-5-3-4-6-12(11)9-18-15(19)14-8-7-13(16)10-17-14/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide?
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 136529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).