N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide

C22H25N3O — CID 10617665

IUPACN-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
SMILESCN(C)C1CC(c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc23)C1
InChIInChI=1S/C22H25N3O/c1-25(2)18-10-17(11-18)20-14-23-21-9-8-16(12-19(20)21)22(26)24-13-15-6-4-3-5-7-15/h3-9,12,14,17-18,23H,10-11,13H2,1-2H3,(H,24,26)
InChIKeyGCMJIDLORVWRLW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.91
Rot. Bonds5

About N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide

N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide (PubChem CID 10617665) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
PubChem CID10617665
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
SMILESCN(C)C1CC(c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc23)C1
InChIInChI=1S/C22H25N3O/c1-25(2)18-10-17(11-18)20-14-23-21-9-8-16(12-19(20)21)22(26)24-13-15-6-4-3-5-7-15/h3-9,12,14,17-18,23H,10-11,13H2,1-2H3,(H,24,26)
InChIKeyGCMJIDLORVWRLW-UHFFFAOYSA-N
XLogP3.91
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
CID 18691549
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514
3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide
CID 139752018
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18366015
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
N,N-dimethyl-3-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]cyclobutan-1-amine
CID 10852406
N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 11300878
N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide
CID 57086415
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide?
The IUPAC name of N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide (CID 10617665) is N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide is CN(C)C1CC(c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc23)C1.
What is the InChIKey of N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide?
The InChIKey is GCMJIDLORVWRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25(2)18-10-17(11-18)20-14-23-21-9-8-16(12-19(20)21)22(26)24-13-15-6-4-3-5-7-15/h3-9,12,14,17-18,23H,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide?
N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 10617665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).