(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

C17H22N4O2 — CID 94800274

IUPAC(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-20(11-6-10-18)16(22)13-21-12-5-9-15(21)17(23)19-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9,11-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyUBIKMQOXXMXTNB-HNNXBMFYSA-N
MW314.39 g/mol
LogP1.46
Rot. Bonds6

About (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 94800274) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID94800274
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-20(11-6-10-18)16(22)13-21-12-5-9-15(21)17(23)19-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9,11-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyUBIKMQOXXMXTNB-HNNXBMFYSA-N
XLogP1.46
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441954
1-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852273
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 51952764
(2S)-1-[2-(N-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588954
N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
CID 56501336
1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43288895
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097301
N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
CID 95308677
N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide (CID 94800274) is (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide is CN(CCC#N)C(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is UBIKMQOXXMXTNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(11-6-10-18)16(22)13-21-12-5-9-15(21)17(23)19-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9,11-13H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94800274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).