N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

C17H21N3O — CID 24664542

IUPACN-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-19-11-5-9-15(19)16-10-6-12-20(16)17(21)18-13-14-7-3-2-4-8-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,18,21)
InChIKeyWVZGSRGGDIPOSW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.07
Rot. Bonds3

About N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 24664542) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID24664542
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-19-11-5-9-15(19)16-10-6-12-20(16)17(21)18-13-14-7-3-2-4-8-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,18,21)
InChIKeyWVZGSRGGDIPOSW-UHFFFAOYSA-N
XLogP3.07
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94811192
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 51084405
2-(1-methylpyrrol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 55794667
N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 71937782
N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide
CID 24685063
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 55797664
N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 112837758
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 97186286
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (CID 24664542) is N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is Cn1cccc1C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is WVZGSRGGDIPOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-11-5-9-15(19)16-10-6-12-20(16)17(21)18-13-14-7-3-2-4-8-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 24664542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).