6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

C15H15FN2O — CID 63978992

IUPAC6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C15H15FN2O/c1-11-3-2-4-12(9-11)7-8-17-15(19)13-5-6-14(16)18-10-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)
InChIKeyHQWZIQGDWPWWAJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.50
Rot. Bonds4

About 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 63978992) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID63978992
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C15H15FN2O/c1-11-3-2-4-12(9-11)7-8-17-15(19)13-5-6-14(16)18-10-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)
InChIKeyHQWZIQGDWPWWAJ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
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-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62312710
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 39471295
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide (CID 63978992) is 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1cccc(CCNC(=O)c2ccc(F)nc2)c1.
What is the InChIKey of 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is HQWZIQGDWPWWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-3-2-4-12(9-11)7-8-17-15(19)13-5-6-14(16)18-10-13/h2-6,9-10H,7-8H2,1H3,(H,17,19).
What are the key properties of 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63978992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).