5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

C27H24FN3O — CID 25060383

IUPAC5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1
InChIInChI=1S/C27H24FN3O/c1-17-9-18(2)11-22(10-17)23-13-24(26(30-16-23)21-5-4-8-29-15-21)27(32)31-14-20-6-7-25(28)19(3)12-20/h4-13,15-16H,14H2,1-3H3,(H,31,32)
InChIKeyWEJMYAGDVLOVAM-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.80
Rot. Bonds5

About 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 25060383) has the molecular formula C27H24FN3O and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID25060383
Molecular FormulaC27H24FN3O
Molecular Weight425.51 g/mol
Exact Mass425.19
IUPAC Name5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1
InChIInChI=1S/C27H24FN3O/c1-17-9-18(2)11-22(10-17)23-13-24(26(30-16-23)21-5-4-8-29-15-21)27(32)31-14-20-6-7-25(28)19(3)12-20/h4-13,15-16H,14H2,1-3H3,(H,31,32)
InChIKeyWEJMYAGDVLOVAM-UHFFFAOYSA-N
XLogP5.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (CID 25060383) is 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is WEJMYAGDVLOVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O/c1-17-9-18(2)11-22(10-17)23-13-24(26(30-16-23)21-5-4-8-29-15-21)27(32)31-14-20-6-7-25(28)19(3)12-20/h4-13,15-16H,14H2,1-3H3,(H,31,32).
What are the key properties of 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 25060383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).