N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide

C21H29N3O — CID 71989448

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide
SMILESCCN(CC1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C)n1C
InChIInChI=1S/C21H29N3O/c1-4-24(21(25)20-11-10-17(2)22(20)3)16-19-12-13-23(15-19)14-18-8-6-5-7-9-18/h5-11,19H,4,12-16H2,1-3H3
InChIKeyYSGRKJFYMWSYFT-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.32
Rot. Bonds6

About N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 71989448) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide
PubChem CID71989448
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide
SMILESCCN(CC1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C)n1C
InChIInChI=1S/C21H29N3O/c1-4-24(21(25)20-11-10-17(2)22(20)3)16-19-12-13-23(15-19)14-18-8-6-5-7-9-18/h5-11,19H,4,12-16H2,1-3H3
InChIKeyYSGRKJFYMWSYFT-UHFFFAOYSA-N
XLogP3.32
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
1-benzyl-3-ethylpyrrolidine
CID 12648208
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012
(3S)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-N-ethyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 99792793
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide (CID 71989448) is N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide is CCN(CC1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C)n1C.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is YSGRKJFYMWSYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-24(21(25)20-11-10-17(2)22(20)3)16-19-12-13-23(15-19)14-18-8-6-5-7-9-18/h5-11,19H,4,12-16H2,1-3H3.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 71989448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).