N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide

C12H20N4O2 — CID 61214908

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)Cn2ccnc2)C1
InChIInChI=1S/C12H20N4O2/c1-9(7-16-4-3-13-8-16)15-12(17)11-5-10(18-2)6-14-11/h3-4,8-11,14H,5-7H2,1-2H3,(H,15,17)
InChIKeyUTTWZJOAADFKQE-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.24
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214908) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214908
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)Cn2ccnc2)C1
InChIInChI=1S/C12H20N4O2/c1-9(7-16-4-3-13-8-16)15-12(17)11-5-10(18-2)6-14-11/h3-4,8-11,14H,5-7H2,1-2H3,(H,15,17)
InChIKeyUTTWZJOAADFKQE-UHFFFAOYSA-N
XLogP-0.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide (CID 61214908) is N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)Cn2ccnc2)C1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is UTTWZJOAADFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(7-16-4-3-13-8-16)15-12(17)11-5-10(18-2)6-14-11/h3-4,8-11,14H,5-7H2,1-2H3,(H,15,17).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).