6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide

C22H17FN4O2 — CID 109098571

IUPAC6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3F)n2)c1
InChIInChI=1S/C22H17FN4O2/c23-18-8-2-1-6-16(18)11-12-25-21(28)19-9-4-10-20(27-19)22(29)26-17-7-3-5-15(13-17)14-24/h1-10,13H,11-12H2,(H,25,28)(H,26,29)
InChIKeyXDEZQFHDDAHCKN-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.32
Rot. Bonds6

About 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide

6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide (PubChem CID 109098571) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
PubChem CID109098571
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3F)n2)c1
InChIInChI=1S/C22H17FN4O2/c23-18-8-2-1-6-16(18)11-12-25-21(28)19-9-4-10-20(27-19)22(29)26-17-7-3-5-15(13-17)14-24/h1-10,13H,11-12H2,(H,25,28)(H,26,29)
InChIKeyXDEZQFHDDAHCKN-UHFFFAOYSA-N
XLogP3.32
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948356
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109047977
2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094041
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237279
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055476
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide (CID 109098571) is 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide is N#Cc1cccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3F)n2)c1.
What is the InChIKey of 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is XDEZQFHDDAHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-18-8-2-1-6-16(18)11-12-25-21(28)19-9-4-10-20(27-19)22(29)26-17-7-3-5-15(13-17)14-24/h1-10,13H,11-12H2,(H,25,28)(H,26,29).
What are the key properties of 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide?
6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).