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

C11H18N4O — CID 43112147

IUPACN-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN1
InChIInChI=1S/C11H18N4O/c16-11(10-3-1-4-13-10)14-5-2-7-15-8-6-12-9-15/h6,8-10,13H,1-5,7H2,(H,14,16)
InChIKeyPFJJFMVWYRDXNE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds5

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

N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 43112147) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID43112147
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN1
InChIInChI=1S/C11H18N4O/c16-11(10-3-1-4-13-10)14-5-2-7-15-8-6-12-9-15/h6,8-10,13H,1-5,7H2,(H,14,16)
InChIKeyPFJJFMVWYRDXNE-UHFFFAOYSA-N
XLogP0.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119827227
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
N-(3-imidazol-1-ylpropyl)-3-piperidin-2-ylpropanamide
CID 62210335
N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide
CID 106739883
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
(1S,2R,3R,4S)-3-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716070
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
4-amino-N-(3-imidazol-1-ylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628324
3-imidazol-1-ylpropylurea
CID 22179621
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide (CID 43112147) is N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCn1ccnc1)C1CCCN1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is PFJJFMVWYRDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(10-3-1-4-13-10)14-5-2-7-15-8-6-12-9-15/h6,8-10,13H,1-5,7H2,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43112147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).