N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide

C21H26N4O3 — CID 41490708

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2c1C
InChIInChI=1S/C21H26N4O3/c1-13-14(2)23-17-7-6-15(12-16(13)17)18(26)22-10-5-11-25-19(27)21(24-20(25)28)8-3-4-9-21/h6-7,12,23H,3-5,8-11H2,1-2H3,(H,22,26)(H,24,28)
InChIKeyZTEDORAUBJFMPT-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.77
Rot. Bonds5

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 41490708) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID41490708
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2c1C
InChIInChI=1S/C21H26N4O3/c1-13-14(2)23-17-7-6-15(12-16(13)17)18(26)22-10-5-11-25-19(27)21(24-20(25)28)8-3-4-9-21/h6-7,12,23H,3-5,8-11H2,1-2H3,(H,22,26)(H,24,28)
InChIKeyZTEDORAUBJFMPT-UHFFFAOYSA-N
XLogP2.77
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-ethoxybenzamide
CID 41491110
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-phenoxybenzamide
CID 41491009
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 107271669
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide
CID 51116578
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 41490708) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2c1C.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is ZTEDORAUBJFMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-14(2)23-17-7-6-15(12-16(13)17)18(26)22-10-5-11-25-19(27)21(24-20(25)28)8-3-4-9-21/h6-7,12,23H,3-5,8-11H2,1-2H3,(H,22,26)(H,24,28).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 41490708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).