N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

C15H20N4O — CID 63299902

IUPACN-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(C#N)c1)C1CCNC1
InChIInChI=1S/C15H20N4O/c1-2-19(14-6-7-17-10-14)11-15(20)18-13-5-3-4-12(8-13)9-16/h3-5,8,14,17H,2,6-7,10-11H2,1H3,(H,18,20)
InChIKeyWFUKUAQLUCDGQJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.18
Rot. Bonds5

About N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63299902) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63299902
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(C#N)c1)C1CCNC1
InChIInChI=1S/C15H20N4O/c1-2-19(14-6-7-17-10-14)11-15(20)18-13-5-3-4-12(8-13)9-16/h3-5,8,14,17H,2,6-7,10-11H2,1H3,(H,18,20)
InChIKeyWFUKUAQLUCDGQJ-UHFFFAOYSA-N
XLogP1.18
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 109003480
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467
3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165761
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63636963
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-(3-cyanophenyl)-2-[methyl-(3-methylsulfanylcyclopentyl)amino]acetamide
CID 71986559
N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
CID 99107009
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (CID 63299902) is N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is CCN(CC(=O)Nc1cccc(C#N)c1)C1CCNC1.
What is the InChIKey of N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is WFUKUAQLUCDGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-19(14-6-7-17-10-14)11-15(20)18-13-5-3-4-12(8-13)9-16/h3-5,8,14,17H,2,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63299902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).