N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide

C20H30N4O2 — CID 37403534

IUPACN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCOC(C)(C)C2)n(C2CCCC2)c1C
InChIInChI=1S/C20H30N4O2/c1-14-15(2)24(16-7-5-6-8-16)19(17(14)11-21)22-18(25)12-23-9-10-26-20(3,4)13-23/h16H,5-10,12-13H2,1-4H3,(H,22,25)
InChIKeyLJXPXEBKGLCCBC-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.14
Rot. Bonds4

About N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide (PubChem CID 37403534) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
PubChem CID37403534
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCOC(C)(C)C2)n(C2CCCC2)c1C
InChIInChI=1S/C20H30N4O2/c1-14-15(2)24(16-7-5-6-8-16)19(17(14)11-21)22-18(25)12-23-9-10-26-20(3,4)13-23/h16H,5-10,12-13H2,1-4H3,(H,22,25)
InChIKeyLJXPXEBKGLCCBC-UHFFFAOYSA-N
XLogP3.14
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide (CID 37403534) is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide is Cc1c(C#N)c(NC(=O)CN2CCOC(C)(C)C2)n(C2CCCC2)c1C.
What is the InChIKey of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The InChIKey is LJXPXEBKGLCCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-15(2)24(16-7-5-6-8-16)19(17(14)11-21)22-18(25)12-23-9-10-26-20(3,4)13-23/h16H,5-10,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 37403534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).