3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide

C15H14F2N2O — CID 146074894

IUPAC3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-10-8-13(17)14(19-9-10)15(20)18-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyKTDVKSFPJIYJOR-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.64
Rot. Bonds4

About 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide

3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide (PubChem CID 146074894) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide
PubChem CID146074894
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-10-8-13(17)14(19-9-10)15(20)18-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyKTDVKSFPJIYJOR-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridine-2-carboxamide
CID 146074902
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666389
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
CID 91628554
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide (CID 146074894) is 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NCCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide?
The InChIKey is KTDVKSFPJIYJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10-8-13(17)14(19-9-10)15(20)18-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide?
3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 146074894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).