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

C23H21N5O3 — CID 170622639

IUPAC4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ncc(C#N)cc3C#N)CC1)C(=O)N2
InChIInChI=1S/C23H21N5O3/c1-2-26-20(29)15-3-4-19-18(10-15)23(22(30)28-19)7-5-17(6-8-23)31-21-16(12-25)9-14(11-24)13-27-21/h3-4,9-10,13,17H,2,5-8H2,1H3,(H,26,29)(H,28,30)
InChIKeyOSAKNVWNWKQYBD-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.79
Rot. Bonds4

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

4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (PubChem CID 170622639) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

Compound Name4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
PubChem CID170622639
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ncc(C#N)cc3C#N)CC1)C(=O)N2
InChIInChI=1S/C23H21N5O3/c1-2-26-20(29)15-3-4-19-18(10-15)23(22(30)28-19)7-5-17(6-8-23)31-21-16(12-25)9-14(11-24)13-27-21/h3-4,9-10,13,17H,2,5-8H2,1H3,(H,26,29)(H,28,30)
InChIKeyOSAKNVWNWKQYBD-UHFFFAOYSA-N
XLogP2.79
TPSA127.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The IUPAC name of 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (CID 170622639) is 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.
What is the SMILES notation for 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The canonical SMILES for 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is CCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ncc(C#N)cc3C#N)CC1)C(=O)N2.
What is the InChIKey of 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The InChIKey is OSAKNVWNWKQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-26-20(29)15-3-4-19-18(10-15)23(22(30)28-19)7-5-17(6-8-23)31-21-16(12-25)9-14(11-24)13-27-21/h3-4,9-10,13,17H,2,5-8H2,1H3,(H,26,29)(H,28,30).
What are the key properties of 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(3,5-dicyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 170622639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).