N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide

C24H20FN3O3 — CID 10093407

IUPACN-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccccc3F)c3c(O)cccc23)cc(C)n1
InChIInChI=1S/C24H20FN3O3/c1-14-10-17(11-15(2)26-14)27-24(31)23(30)19-13-28(12-16-6-3-4-8-20(16)25)22-18(19)7-5-9-21(22)29/h3-11,13,29H,12H2,1-2H3,(H,26,27,31)
InChIKeyQLYIYWDTAHPVTH-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.37
Rot. Bonds5

About N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide

N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide (PubChem CID 10093407) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide
PubChem CID10093407
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccccc3F)c3c(O)cccc23)cc(C)n1
InChIInChI=1S/C24H20FN3O3/c1-14-10-17(11-15(2)26-14)27-24(31)23(30)19-13-28(12-16-6-3-4-8-20(16)25)22-18(19)7-5-9-21(22)29/h3-11,13,29H,12H2,1-2H3,(H,26,27,31)
InChIKeyQLYIYWDTAHPVTH-UHFFFAOYSA-N
XLogP4.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
CID 5303618
1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
CID 7598978
1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
CID 106559102
N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207817
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
CID 91788479
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 17234190
2-[1-[(2-fluorophenyl)methyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336596
1-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598870

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide (CID 10093407) is N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3ccccc3F)c3c(O)cccc23)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide?
The InChIKey is QLYIYWDTAHPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-14-10-17(11-15(2)26-14)27-24(31)23(30)19-13-28(12-16-6-3-4-8-20(16)25)22-18(19)7-5-9-21(22)29/h3-11,13,29H,12H2,1-2H3,(H,26,27,31).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide?
N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide has a molecular weight of 417.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 10093407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).