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

C22H22N4O3 — CID 170622662

IUPAC4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ccc(C#N)cn3)CC1)C(=O)N2
InChIInChI=1S/C22H22N4O3/c1-2-24-20(27)15-4-5-18-17(11-15)22(21(28)26-18)9-7-16(8-10-22)29-19-6-3-14(12-23)13-25-19/h3-6,11,13,16H,2,7-10H2,1H3,(H,24,27)(H,26,28)
InChIKeyPHHWIKDQAXYSQJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.91
Rot. Bonds4

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

4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (PubChem CID 170622662) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

Compound Name4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
PubChem CID170622662
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ccc(C#N)cn3)CC1)C(=O)N2
InChIInChI=1S/C22H22N4O3/c1-2-24-20(27)15-4-5-18-17(11-15)22(21(28)26-18)9-7-16(8-10-22)29-19-6-3-14(12-23)13-25-19/h3-6,11,13,16H,2,7-10H2,1H3,(H,24,27)(H,26,28)
InChIKeyPHHWIKDQAXYSQJ-UHFFFAOYSA-N
XLogP2.91
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The IUPAC name of 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (CID 170622662) is 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.
What is the SMILES notation for 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The canonical SMILES for 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is CCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ccc(C#N)cn3)CC1)C(=O)N2.
What is the InChIKey of 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The InChIKey is PHHWIKDQAXYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-24-20(27)15-4-5-18-17(11-15)22(21(28)26-18)9-7-16(8-10-22)29-19-6-3-14(12-23)13-25-19/h3-6,11,13,16H,2,7-10H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(5-cyano-2-pyridinyl)oxy]-N-ethyl-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 170622662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).