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

C23H22FN3O2 — CID 109106326

IUPAC5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)NCCc3ccccc3F)c2)c1
InChIInChI=1S/C23H22FN3O2/c1-15-9-16(2)11-20(10-15)27-23(29)19-12-18(13-25-14-19)22(28)26-8-7-17-5-3-4-6-21(17)24/h3-6,9-14H,7-8H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPTWPMEQNUBOSOC-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.06
Rot. Bonds6

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

5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 109106326) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID109106326
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)NCCc3ccccc3F)c2)c1
InChIInChI=1S/C23H22FN3O2/c1-15-9-16(2)11-20(10-15)27-23(29)19-12-18(13-25-14-19)22(28)26-8-7-17-5-3-4-6-21(17)24/h3-6,9-14H,7-8H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPTWPMEQNUBOSOC-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

3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
CID 109236255
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106321
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
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

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide (CID 109106326) is 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cncc(C(=O)NCCc3ccccc3F)c2)c1.
What is the InChIKey of 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is PTWPMEQNUBOSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-9-16(2)11-20(10-15)27-23(29)19-12-18(13-25-14-19)22(28)26-8-7-17-5-3-4-6-21(17)24/h3-6,9-14H,7-8H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-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 5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).