6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C15H15FN2O2 — CID 115497979

IUPAC6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C15H15FN2O2/c1-10(11-6-8-12(20-2)9-7-11)17-15(19)13-4-3-5-14(16)18-13/h3-10H,1-2H3,(H,17,19)
InChIKeyOWRMIOIUZWIEBU-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.72
Rot. Bonds4

About 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 115497979) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID115497979
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C15H15FN2O2/c1-10(11-6-8-12(20-2)9-7-11)17-15(19)13-4-3-5-14(16)18-13/h3-10H,1-2H3,(H,17,19)
InChIKeyOWRMIOIUZWIEBU-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
6-fluoro-N-(5-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 113342916

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 115497979) is 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(C(C)NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is OWRMIOIUZWIEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(11-6-8-12(20-2)9-7-11)17-15(19)13-4-3-5-14(16)18-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).