1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide

C20H27N3O — CID 102563188

IUPAC1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCCn1ccc(CNC(=O)C2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H27N3O/c1-2-11-22-13-10-18(15-22)14-21-20(24)19-9-6-12-23(19)16-17-7-4-3-5-8-17/h3-5,7-8,10,13,15,19H,2,6,9,11-12,14,16H2,1H3,(H,21,24)
InChIKeyZJONZAWFUDXQBO-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.18
Rot. Bonds7

About 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide

1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 102563188) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID102563188
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCCn1ccc(CNC(=O)C2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H27N3O/c1-2-11-22-13-10-18(15-22)14-21-20(24)19-9-6-12-23(19)16-17-7-4-3-5-8-17/h3-5,7-8,10,13,15,19H,2,6,9,11-12,14,16H2,1H3,(H,21,24)
InChIKeyZJONZAWFUDXQBO-UHFFFAOYSA-N
XLogP3.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 102563188) is 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide is CCCn1ccc(CNC(=O)C2CCCN2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZJONZAWFUDXQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-11-22-13-10-18(15-22)14-21-20(24)19-9-6-12-23(19)16-17-7-4-3-5-8-17/h3-5,7-8,10,13,15,19H,2,6,9,11-12,14,16H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102563188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).