1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide

C17H21N3O — CID 62665454

IUPAC1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
SMILESO=C(NCCNC1CC1)c1cccn1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c21-17(19-11-10-18-15-8-9-15)16-7-4-12-20(16)13-14-5-2-1-3-6-14/h1-7,12,15,18H,8-11,13H2,(H,19,21)
InChIKeyXLVKTYQJHRXNHH-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.02
Rot. Bonds7

About 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide

1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide (PubChem CID 62665454) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
PubChem CID62665454
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
SMILESO=C(NCCNC1CC1)c1cccn1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c21-17(19-11-10-18-15-8-9-15)16-7-4-12-20(16)13-14-5-2-1-3-6-14/h1-7,12,15,18H,8-11,13H2,(H,19,21)
InChIKeyXLVKTYQJHRXNHH-UHFFFAOYSA-N
XLogP2.02
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80563001
1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 86936385
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
N-(2-acetamidoethyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 51104098
N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
CID 114383386
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]-2-methylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 25010779
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide (CID 62665454) is 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide is O=C(NCCNC1CC1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide?
The InChIKey is XLVKTYQJHRXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(19-11-10-18-15-8-9-15)16-7-4-12-20(16)13-14-5-2-1-3-6-14/h1-7,12,15,18H,8-11,13H2,(H,19,21).
What are the key properties of 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide?
1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 62665454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).