N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide

C15H20N4O — CID 63164005

IUPACN-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N4O/c1-18(2)14-6-7-19(10-14)11-15(20)17-13-5-3-4-12(8-13)9-16/h3-5,8,14H,6-7,10-11H2,1-2H3,(H,17,20)
InChIKeyLGGVRALHCQANID-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.13
Rot. Bonds4

About N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 63164005) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
PubChem CID63164005
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N4O/c1-18(2)14-6-7-19(10-14)11-15(20)17-13-5-3-4-12(8-13)9-16/h3-5,8,14H,6-7,10-11H2,1-2H3,(H,17,20)
InChIKeyLGGVRALHCQANID-UHFFFAOYSA-N
XLogP1.13
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25498632

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (CID 63164005) is N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is CN(C)C1CCN(CC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is LGGVRALHCQANID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)14-6-7-19(10-14)11-15(20)17-13-5-3-4-12(8-13)9-16/h3-5,8,14H,6-7,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 63164005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).