N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide

C23H24N4O — CID 1124497

IUPACN-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCn1c(CN(C(=O)CN2CCCC2)c2ccccc2)c(C#N)c2ccccc21
InChIInChI=1S/C23H24N4O/c1-25-21-12-6-5-11-19(21)20(15-24)22(25)16-27(18-9-3-2-4-10-18)23(28)17-26-13-7-8-14-26/h2-6,9-12H,7-8,13-14,16-17H2,1H3
InChIKeyBQAUWIYXTPIKRA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.68
Rot. Bonds5

About N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide

N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 1124497) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID1124497
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCn1c(CN(C(=O)CN2CCCC2)c2ccccc2)c(C#N)c2ccccc21
InChIInChI=1S/C23H24N4O/c1-25-21-12-6-5-11-19(21)20(15-24)22(25)16-27(18-9-3-2-4-10-18)23(28)17-26-13-7-8-14-26/h2-6,9-12H,7-8,13-14,16-17H2,1H3
InChIKeyBQAUWIYXTPIKRA-UHFFFAOYSA-N
XLogP3.68
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide (CID 1124497) is N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide is Cn1c(CN(C(=O)CN2CCCC2)c2ccccc2)c(C#N)c2ccccc21.
What is the InChIKey of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is BQAUWIYXTPIKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-25-21-12-6-5-11-19(21)20(15-24)22(25)16-27(18-9-3-2-4-10-18)23(28)17-26-13-7-8-14-26/h2-6,9-12H,7-8,13-14,16-17H2,1H3.
What are the key properties of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide?
N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 372.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1124497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).