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

C17H23N3O — CID 105420068

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-19(2)17(9-6-10-17)12-20(3)16(21)14-11-18-15-8-5-4-7-13(14)15/h4-5,7-8,11,18H,6,9-10,12H2,1-3H3
InChIKeySTKZUQPTWQEMED-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds4

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 105420068) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID105420068
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-19(2)17(9-6-10-17)12-20(3)16(21)14-11-18-15-8-5-4-7-13(14)15/h4-5,7-8,11,18H,6,9-10,12H2,1-3H3
InChIKeySTKZUQPTWQEMED-UHFFFAOYSA-N
XLogP2.72
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
CID 105420080
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 114946750
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide
CID 113084830

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide (CID 105420068) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is STKZUQPTWQEMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)17(9-6-10-17)12-20(3)16(21)14-11-18-15-8-5-4-7-13(14)15/h4-5,7-8,11,18H,6,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 105420068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).