6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide

C22H25N3O2 — CID 51119309

IUPAC6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-24(15-17-7-3-4-8-21(17)25-11-5-6-12-25)22(26)20-13-16-9-10-18(27-2)14-19(16)23-20/h3-4,7-10,13-14,23H,5-6,11-12,15H2,1-2H3
InChIKeyVFZUPPJUVXCVSM-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.05
Rot. Bonds5

About 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 51119309) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID51119309
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-24(15-17-7-3-4-8-21(17)25-11-5-6-12-25)22(26)20-13-16-9-10-18(27-2)14-19(16)23-20/h3-4,7-10,13-14,23H,5-6,11-12,15H2,1-2H3
InChIKeyVFZUPPJUVXCVSM-UHFFFAOYSA-N
XLogP4.05
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide (CID 51119309) is 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is VFZUPPJUVXCVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24(15-17-7-3-4-8-21(17)25-11-5-6-12-25)22(26)20-13-16-9-10-18(27-2)14-19(16)23-20/h3-4,7-10,13-14,23H,5-6,11-12,15H2,1-2H3.
What are the key properties of 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51119309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).