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

C22H25N3O — CID 86963715

IUPAC4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccccc3CN3CCCC3)cc2c1C
InChIInChI=1S/C22H25N3O/c1-15-9-10-20-18(16(15)2)13-21(23-20)22(26)24-19-8-4-3-7-17(19)14-25-11-5-6-12-25/h3-4,7-10,13,23H,5-6,11-12,14H2,1-2H3,(H,24,26)
InChIKeyLQTJZWMWGSPJIR-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.63
Rot. Bonds4

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

4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 86963715) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID86963715
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccccc3CN3CCCC3)cc2c1C
InChIInChI=1S/C22H25N3O/c1-15-9-10-20-18(16(15)2)13-21(23-20)22(26)24-19-8-4-3-7-17(19)14-25-11-5-6-12-25/h3-4,7-10,13,23H,5-6,11-12,14H2,1-2H3,(H,24,26)
InChIKeyLQTJZWMWGSPJIR-UHFFFAOYSA-N
XLogP4.63
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618473
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676963
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide (CID 86963715) is 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3ccccc3CN3CCCC3)cc2c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is LQTJZWMWGSPJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-9-10-20-18(16(15)2)13-21(23-20)22(26)24-19-8-4-3-7-17(19)14-25-11-5-6-12-25/h3-4,7-10,13,23H,5-6,11-12,14H2,1-2H3,(H,24,26).
What are the key properties of 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86963715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).