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

C21H26FN3O2 — CID 109106315

IUPAC3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C21H26FN3O2/c1-3-11-25(12-4-2)21(27)18-13-17(14-23-15-18)20(26)24-10-9-16-7-5-6-8-19(16)22/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeyFXTDCBGGYHLMCD-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.46
Rot. Bonds9

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

3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (PubChem CID 109106315) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
PubChem CID109106315
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C21H26FN3O2/c1-3-11-25(12-4-2)21(27)18-13-17(14-23-15-18)20(26)24-10-9-16-7-5-6-8-19(16)22/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeyFXTDCBGGYHLMCD-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106321
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
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-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
CID 109236255
3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109103626
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
3-N-(2,4-difluorophenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107640

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (CID 109106315) is 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is CCCN(CCC)C(=O)c1cncc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The InChIKey is FXTDCBGGYHLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-3-11-25(12-4-2)21(27)18-13-17(14-23-15-18)20(26)24-10-9-16-7-5-6-8-19(16)22/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,26).
What are the key properties of 3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.46, 9 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,5-N-dipropylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).