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

C21H19FN4O2 — CID 109105993

IUPAC3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H19FN4O2/c22-19-5-3-15(4-6-19)7-9-25-20(27)17-10-18(14-24-13-17)21(28)26-12-16-2-1-8-23-11-16/h1-6,8,10-11,13-14H,7,9,12H2,(H,25,27)(H,26,28)
InChIKeyODUFYVPFOMCTKV-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.52
Rot. Bonds7

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

3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105993) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105993
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H19FN4O2/c22-19-5-3-15(4-6-19)7-9-25-20(27)17-10-18(14-24-13-17)21(28)26-12-16-2-1-8-23-11-16/h1-6,8,10-11,13-14H,7,9,12H2,(H,25,27)(H,26,28)
InChIKeyODUFYVPFOMCTKV-UHFFFAOYSA-N
XLogP2.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106077
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105993) is 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCCc1ccc(F)cc1)c1cncc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is ODUFYVPFOMCTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-19-5-3-15(4-6-19)7-9-25-20(27)17-10-18(14-24-13-17)21(28)26-12-16-2-1-8-23-11-16/h1-6,8,10-11,13-14H,7,9,12H2,(H,25,27)(H,26,28).
What are the key properties of 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).