N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide

C12H20N4O2 — CID 61214752

IUPACN-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCCn2ccnc2)C1
InChIInChI=1S/C12H20N4O2/c1-18-10-7-11(15-8-10)12(17)14-3-2-5-16-6-4-13-9-16/h4,6,9-11,15H,2-3,5,7-8H2,1H3,(H,14,17)
InChIKeyRNYJQCZUVVQYHR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.23
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214752) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214752
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCCn2ccnc2)C1
InChIInChI=1S/C12H20N4O2/c1-18-10-7-11(15-8-10)12(17)14-3-2-5-16-6-4-13-9-16/h4,6,9-11,15H,2-3,5,7-8H2,1H3,(H,14,17)
InChIKeyRNYJQCZUVVQYHR-UHFFFAOYSA-N
XLogP-0.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214752) is N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCCn2ccnc2)C1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is RNYJQCZUVVQYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-10-7-11(15-8-10)12(17)14-3-2-5-16-6-4-13-9-16/h4,6,9-11,15H,2-3,5,7-8H2,1H3,(H,14,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).