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

C21H17F2N3O2 — CID 109106374

IUPAC5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H17F2N3O2/c22-17-3-1-14(2-4-17)9-10-25-20(27)15-11-16(13-24-12-15)21(28)26-19-7-5-18(23)6-8-19/h1-8,11-13H,9-10H2,(H,25,27)(H,26,28)
InChIKeyYUWCNOSGJZLWBA-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.58
Rot. Bonds6

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

5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 109106374) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID109106374
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H17F2N3O2/c22-17-3-1-14(2-4-17)9-10-25-20(27)15-11-16(13-24-12-15)21(28)26-19-7-5-18(23)6-8-19/h1-8,11-13H,9-10H2,(H,25,27)(H,26,28)
InChIKeyYUWCNOSGJZLWBA-UHFFFAOYSA-N
XLogP3.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide (CID 109106374) is 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide is O=C(NCCc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is YUWCNOSGJZLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-17-3-1-14(2-4-17)9-10-25-20(27)15-11-16(13-24-12-15)21(28)26-19-7-5-18(23)6-8-19/h1-8,11-13H,9-10H2,(H,25,27)(H,26,28).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide?
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).