2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide

C23H22FN3O2 — CID 109087957

IUPAC2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NCCc3ccccc3F)ccn2)c1
InChIInChI=1S/C23H22FN3O2/c1-15-11-16(2)13-19(12-15)27-23(29)21-14-18(8-9-25-21)22(28)26-10-7-17-5-3-4-6-20(17)24/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWOKCSXCWIUDXTJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.06
Rot. Bonds6

About 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide

2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109087957) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109087957
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NCCc3ccccc3F)ccn2)c1
InChIInChI=1S/C23H22FN3O2/c1-15-11-16(2)13-19(12-15)27-23(29)21-14-18(8-9-25-21)22(28)26-10-7-17-5-3-4-6-20(17)24/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWOKCSXCWIUDXTJ-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106326
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
2-N-[(2-fluorophenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086433
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109087957) is 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cc(C(=O)NCCc3ccccc3F)ccn2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is WOKCSXCWIUDXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-11-16(2)13-19(12-15)27-23(29)21-14-18(8-9-25-21)22(28)26-10-7-17-5-3-4-6-20(17)24/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).