3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide

C22H20FN3O2 — CID 109106321

IUPAC3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCN(C(=O)c1cncc(C(=O)NCCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c1-26(19-8-3-2-4-9-19)22(28)18-13-17(14-24-15-18)21(27)25-12-11-16-7-5-6-10-20(16)23/h2-10,13-15H,11-12H2,1H3,(H,25,27)
InChIKeyOWHJOBSHRQBNGQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.47
Rot. Bonds6

About 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide

3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109106321) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109106321
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCN(C(=O)c1cncc(C(=O)NCCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c1-26(19-8-3-2-4-9-19)22(28)18-13-17(14-24-15-18)21(27)25-12-11-16-7-5-6-10-20(16)23/h2-10,13-15H,11-12H2,1H3,(H,25,27)
InChIKeyOWHJOBSHRQBNGQ-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
CID 109236255
5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106326
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide (CID 109106321) is 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide is CN(C(=O)c1cncc(C(=O)NCCc2ccccc2F)c1)c1ccccc1.
What is the InChIKey of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is OWHJOBSHRQBNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-26(19-8-3-2-4-9-19)22(28)18-13-17(14-24-15-18)21(27)25-12-11-16-7-5-6-10-20(16)23/h2-10,13-15H,11-12H2,1H3,(H,25,27).
What are the key properties of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).