2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide

C23H27N3O — CID 26447126

IUPAC2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2c1C
InChIInChI=1S/C23H27N3O/c1-16-17(2)25-22-10-9-20(13-21(16)22)23(27)24-14-18-5-7-19(8-6-18)15-26-11-3-4-12-26/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3,(H,24,27)
InChIKeyBUSOZPJYTTYELK-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.31
Rot. Bonds5

About 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide (PubChem CID 26447126) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
PubChem CID26447126
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2c1C
InChIInChI=1S/C23H27N3O/c1-16-17(2)25-22-10-9-20(13-21(16)22)23(27)24-14-18-5-7-19(8-6-18)15-26-11-3-4-12-26/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3,(H,24,27)
InChIKeyBUSOZPJYTTYELK-UHFFFAOYSA-N
XLogP4.31
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474775
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-chloropyridine-4-carboxamide
CID 60602338
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide (CID 26447126) is 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide?
The InChIKey is BUSOZPJYTTYELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-17(2)25-22-10-9-20(13-21(16)22)23(27)24-14-18-5-7-19(8-6-18)15-26-11-3-4-12-26/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 26447126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).