N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C22H27FN4O — CID 16593597

IUPACN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2cccc(F)c2)n(C2CCCC2)c1C
InChIInChI=1S/C22H27FN4O/c1-15-16(2)27(19-9-4-5-10-19)22(20(15)12-24)25-21(28)14-26(3)13-17-7-6-8-18(23)11-17/h6-8,11,19H,4-5,9-10,13-14H2,1-3H3,(H,25,28)
InChIKeyLOUNVQHLYUBMJA-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.30
Rot. Bonds6

About N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 16593597) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID16593597
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2cccc(F)c2)n(C2CCCC2)c1C
InChIInChI=1S/C22H27FN4O/c1-15-16(2)27(19-9-4-5-10-19)22(20(15)12-24)25-21(28)14-26(3)13-17-7-6-8-18(23)11-17/h6-8,11,19H,4-5,9-10,13-14H2,1-3H3,(H,25,28)
InChIKeyLOUNVQHLYUBMJA-UHFFFAOYSA-N
XLogP4.30
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 16593597) is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)Cc2cccc(F)c2)n(C2CCCC2)c1C.
What is the InChIKey of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is LOUNVQHLYUBMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-15-16(2)27(19-9-4-5-10-19)22(20(15)12-24)25-21(28)14-26(3)13-17-7-6-8-18(23)11-17/h6-8,11,19H,4-5,9-10,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 382.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 16593597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).