3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

C23H22FN3O2 — CID 109105544

IUPAC3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C23H22FN3O2/c1-15(2)16-7-9-20(10-8-16)27-23(29)19-11-18(12-25-13-19)22(28)26-14-17-5-3-4-6-21(17)24/h3-13,15H,14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUHUJXQMQDPQFMB-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.53
Rot. Bonds6

About 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105544) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109105544
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C23H22FN3O2/c1-15(2)16-7-9-20(10-8-16)27-23(29)19-11-18(12-25-13-19)22(28)26-14-17-5-3-4-6-21(17)24/h3-13,15H,14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUHUJXQMQDPQFMB-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337
2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097776
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109105544) is 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3F)c2)cc1.
What is the InChIKey of 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is UHUJXQMQDPQFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15(2)16-7-9-20(10-8-16)27-23(29)19-11-18(12-25-13-19)22(28)26-14-17-5-3-4-6-21(17)24/h3-13,15H,14H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).