(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

C18H24N4O2 — CID 95298954

IUPAC(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C18H24N4O2/c1-21(2)18(24)16-8-4-10-22(16)11-5-9-20-17(23)15-7-3-6-14(12-15)13-19/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyXJWUOUCICVJWAT-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.23
Rot. Bonds6

About (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 95298954) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID95298954
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C18H24N4O2/c1-21(2)18(24)16-8-4-10-22(16)11-5-9-20-17(23)15-7-3-6-14(12-15)13-19/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyXJWUOUCICVJWAT-MRXNPFEDSA-N
XLogP1.23
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
CID 95302588
(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
(2R)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 52518039
(2R)-1-[2-(4-cyanophenoxy)ethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 34929966
(2R)-1-[3-[(3-cyclopropylthiophene-2-carbonyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95339617
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
methyl (2R)-1-[3-(3-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97062500
1-[3-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 111358156
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 95298954) is (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(C#N)c1.
What is the InChIKey of (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is XJWUOUCICVJWAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(2)18(24)16-8-4-10-22(16)11-5-9-20-17(23)15-7-3-6-14(12-15)13-19/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95298954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).