(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide

C17H21N3O2 — CID 95196179

IUPAC(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H21N3O2/c1-3-19(4-2)17(22)15-9-6-10-20(15)16(21)14-8-5-7-13(11-14)12-18/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeySVMDUOKAHUKAHD-OAHLLOKOSA-N
MW299.37 g/mol
LogP2.03
Rot. Bonds4

About (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide

(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 95196179) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID95196179
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H21N3O2/c1-3-19(4-2)17(22)15-9-6-10-20(15)16(21)14-8-5-7-13(11-14)12-18/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeySVMDUOKAHUKAHD-OAHLLOKOSA-N
XLogP2.03
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
CID 62125197
3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 95303105
3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 129428393
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17498248
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305873
3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
CID 97041924

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide (CID 95196179) is (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc(C#N)c1.
What is the InChIKey of (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is SVMDUOKAHUKAHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-19(4-2)17(22)15-9-6-10-20(15)16(21)14-8-5-7-13(11-14)12-18/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95196179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).