6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide

C15H14F2N2O2 — CID 115497321

IUPAC6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1cccc(F)n1
InChIInChI=1S/C15H14F2N2O2/c1-9(11-8-10(16)6-7-13(11)21-2)18-15(20)12-4-3-5-14(17)19-12/h3-9H,1-2H3,(H,18,20)
InChIKeyNKGMEVNRTAPYBZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.86
Rot. Bonds4

About 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide

6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 115497321) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID115497321
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1cccc(F)n1
InChIInChI=1S/C15H14F2N2O2/c1-9(11-8-10(16)6-7-13(11)21-2)18-15(20)12-4-3-5-14(17)19-12/h3-9H,1-2H3,(H,18,20)
InChIKeyNKGMEVNRTAPYBZ-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.86
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-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497979
2-(2-aminoethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120623141
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75449989
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate
CID 112703953
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 115497321) is 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(F)cc1C(C)NC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is NKGMEVNRTAPYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9(11-8-10(16)6-7-13(11)21-2)18-15(20)12-4-3-5-14(17)19-12/h3-9H,1-2H3,(H,18,20).
What are the key properties of 6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.86, 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-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).