2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide

C23H22FN3O2 — CID 109097776

IUPAC2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3F)n2)cc1
InChIInChI=1S/C23H22FN3O2/c1-15(2)16-10-12-18(13-11-16)26-23(29)21-9-5-8-20(27-21)22(28)25-14-17-6-3-4-7-19(17)24/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyZVHMUOGKDACNFR-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.53
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide

2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109097776) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109097776
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3F)n2)cc1
InChIInChI=1S/C23H22FN3O2/c1-15(2)16-10-12-18(13-11-16)26-23(29)21-9-5-8-20(27-21)22(28)25-14-17-6-3-4-7-19(17)24/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyZVHMUOGKDACNFR-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

4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100678
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593
6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109369598
6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097797
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
6-N-benzyl-6-N-methyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097697

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide (CID 109097776) is 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide is CC(C)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3F)n2)cc1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is ZVHMUOGKDACNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15(2)16-10-12-18(13-11-16)26-23(29)21-9-5-8-20(27-21)22(28)25-14-17-6-3-4-7-19(17)24/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-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 2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).