N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide

C21H23N3O3 — CID 170622652

IUPACN-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ccccn3)CC1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-2-22-19(25)14-6-7-17-16(13-14)21(20(26)24-17)10-8-15(9-11-21)27-18-5-3-4-12-23-18/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyJRFBWGPSQJGPLS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide

N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (PubChem CID 170622652) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
PubChem CID170622652
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ccccn3)CC1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-2-22-19(25)14-6-7-17-16(13-14)21(20(26)24-17)10-8-15(9-11-21)27-18-5-3-4-12-23-18/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyJRFBWGPSQJGPLS-UHFFFAOYSA-N
XLogP3.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 16731843
N-(4-ethoxyphenyl)-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3238619
ethyl 3-(4-isopropoxyphenyl)-3-({[3-oxo-2-(pyridin-3-ylmethyl)-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)propanoate
CID 16193683
3-(1-methylindol-3-yl)-4-[3-(2-aminoethoxy)phenyl]-1Hpyrrole-2,5-dione
CID 9928879
3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10068933
4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942921
1-[(4-Methoxyphenyl)methyl]-5-pyridin-4-ylindole-2,3-dione
CID 141372273
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
4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405529
2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6471437
3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-N-methyl-2-oxoindoline-5-carboxamide
CID 9820317
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one
CID 10047419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The IUPAC name of N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide (CID 170622652) is N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is CCNC(=O)c1ccc2c(c1)C1(CCC(Oc3ccccn3)CC1)C(=O)N2.
What is the InChIKey of N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
The InChIKey is JRFBWGPSQJGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-22-19(25)14-6-7-17-16(13-14)21(20(26)24-17)10-8-15(9-11-21)27-18-5-3-4-12-23-18/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide?
N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-4'-pyridin-2-yloxyspiro[1H-indole-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 170622652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).