4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide

C21H21F2N3O3 — CID 170622689

IUPAC4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ncc(F)cc3F)CC1)C(=O)N2
InChIInChI=1S/C21H21F2N3O3/c1-2-24-18(27)12-3-4-17-15(9-12)21(20(28)26-17)7-5-14(6-8-21)29-19-16(23)10-13(22)11-25-19/h3-4,9-11,14H,2,5-8H2,1H3,(H,24,27)(H,26,28)
InChIKeyXFDILAXQJLVZRM-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.32
Rot. Bonds4

About 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide

4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (PubChem CID 170622689) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

Compound Name4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
PubChem CID170622689
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ncc(F)cc3F)CC1)C(=O)N2
InChIInChI=1S/C21H21F2N3O3/c1-2-24-18(27)12-3-4-17-15(9-12)21(20(28)26-17)7-5-14(6-8-21)29-19-16(23)10-13(22)11-25-19/h3-4,9-11,14H,2,5-8H2,1H3,(H,24,27)(H,26,28)
InChIKeyXFDILAXQJLVZRM-UHFFFAOYSA-N
XLogP3.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide with MolForge

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Related Compounds

4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942921
4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
CID 163405364
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one
CID 10047419
4-(3-carbamoylphenyl)-2-methyl-N-(4-propan-2-ylphenyl)-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49778877
4-(3-carbamoylphenyl)-2-methyl-N-(3,3,3-trifluoropropyl)-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49789737
N-benzyl-4-(3-carbamoylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49792185
4-(3-carbamoylphenyl)-N-[(3,4-difluorophenyl)methyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49795089
4-(3-acetylphenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49795289
(4-Methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
CID 73603297
N-(3-acetylphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942698
4-(3-acetylphenyl)-N-(2-phenylethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942701
4-(3-acetylphenyl)-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942743

Frequently Asked Questions

What is the IUPAC name of 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The IUPAC name of 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (CID 170622689) is 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.
What is the SMILES notation for 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The canonical SMILES for 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is CCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ncc(F)cc3F)CC1)C(=O)N2.
What is the InChIKey of 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The InChIKey is XFDILAXQJLVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-2-24-18(27)12-3-4-17-15(9-12)21(20(28)26-17)7-5-14(6-8-21)29-19-16(23)10-13(22)11-25-19/h3-4,9-11,14H,2,5-8H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(3,5-difluoro-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 170622689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).