2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide

C13H22N4O — CID 83079726

IUPAC2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCCn2ccnc2)CCCN1
InChIInChI=1S/C13H22N4O/c1-2-13(5-3-7-16-13)12(18)15-6-4-9-17-10-8-14-11-17/h8,10-11,16H,2-7,9H2,1H3,(H,15,18)
InChIKeyZXHXUYMITUTBGA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.92
Rot. Bonds6

About 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide

2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 83079726) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID83079726
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCCn2ccnc2)CCCN1
InChIInChI=1S/C13H22N4O/c1-2-13(5-3-7-16-13)12(18)15-6-4-9-17-10-8-14-11-17/h8,10-11,16H,2-7,9H2,1H3,(H,15,18)
InChIKeyZXHXUYMITUTBGA-UHFFFAOYSA-N
XLogP0.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 83071924
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335
3-imidazol-1-ylpropylurea
CID 22179621
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide (CID 83079726) is 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide is CCC1(C(=O)NCCCn2ccnc2)CCCN1.
What is the InChIKey of 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is ZXHXUYMITUTBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-13(5-3-7-16-13)12(18)15-6-4-9-17-10-8-14-11-17/h8,10-11,16H,2-7,9H2,1H3,(H,15,18).
What are the key properties of 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83079726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).