5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide

C28H23FN4O2 — CID 146306789

IUPAC5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccc3c2C(C)(C)C(=O)N3c2ccccn2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C28H23FN4O2/c1-17-22(26(34)32-20-12-10-19(29)11-13-20)15-18(16-31-17)21-7-6-8-23-25(21)28(2,3)27(35)33(23)24-9-4-5-14-30-24/h4-16H,1-3H3,(H,32,34)
InChIKeyCUQUCQHHIMVUFR-UHFFFAOYSA-N
MW466.52 g/mol
LogP5.80
Rot. Bonds4

About 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide

5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 146306789) has the molecular formula C28H23FN4O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID146306789
Molecular FormulaC28H23FN4O2
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccc3c2C(C)(C)C(=O)N3c2ccccn2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C28H23FN4O2/c1-17-22(26(34)32-20-12-10-19(29)11-13-20)15-18(16-31-17)21-7-6-8-23-25(21)28(2,3)27(35)33(23)24-9-4-5-14-30-24/h4-16H,1-3H3,(H,32,34)
InChIKeyCUQUCQHHIMVUFR-UHFFFAOYSA-N
XLogP5.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide with MolForge

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Related Compounds

2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
CID 157121940
5-[3,3-dimethyl-2-oxo-1-(1-oxopyrazol-1-ium-3-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 160875185
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 157356274
6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 159281991
5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 160683858
5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide
CID 146306696
N-(3H-benzimidazol-5-yl)-5-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 69027419
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55964061
2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
2-(azetidin-1-yl)-5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 138736054
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
2-chloro-5-[[3-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbonyl]amino]benzoic acid
CID 143451800

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide (CID 146306789) is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cccc3c2C(C)(C)C(=O)N3c2ccccn2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is CUQUCQHHIMVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2/c1-17-22(26(34)32-20-12-10-19(29)11-13-20)15-18(16-31-17)21-7-6-8-23-25(21)28(2,3)27(35)33(23)24-9-4-5-14-30-24/h4-16H,1-3H3,(H,32,34).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146306789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).