N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C19H28N4O2 — CID 111423084

IUPACN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1
InChIInChI=1S/C19H28N4O2/c1-4-9-22(10-11-24)13-18(25)21-19-17(12-20)14(2)15(3)23(19)16-7-5-6-8-16/h4,16,24H,1,5-11,13H2,2-3H3,(H,21,25)
InChIKeyWMYDRHDWHGVPMV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.51
Rot. Bonds8

About N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 111423084) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID111423084
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1
InChIInChI=1S/C19H28N4O2/c1-4-9-22(10-11-24)13-18(25)21-19-17(12-20)14(2)15(3)23(19)16-7-5-6-8-16/h4,16,24H,1,5-11,13H2,2-3H3,(H,21,25)
InChIKeyWMYDRHDWHGVPMV-UHFFFAOYSA-N
XLogP2.51
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide
CID 9249832
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 9276597
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-morpholin-4-ylacetamide
CID 53503746
Glycine, N-(carboxymethyl)-N-(2-((3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino)-2-oxoethyl)-
CID 156590
2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoethyl]amino]acetic acid;technetium-99
CID 450448
2-Diethylamino-acetamido-3-cyano-4,5-di-methylpyrrole
CID 191933
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 9248919
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 9248921
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 9248923
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 9274845
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 9274846
[2-[[3-Cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-cyclohexyl-methylazanium
CID 9275125

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 111423084) is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1.
What is the InChIKey of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is WMYDRHDWHGVPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-9-22(10-11-24)13-18(25)21-19-17(12-20)14(2)15(3)23(19)16-7-5-6-8-16/h4,16,24H,1,5-11,13H2,2-3H3,(H,21,25).
What are the key properties of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 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-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 111423084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).