N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide

C14H22N4O2 — CID 61215361

IUPACN-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC2CCCC2n2ccnc2)C1
InChIInChI=1S/C14H22N4O2/c1-20-10-7-12(16-8-10)14(19)17-11-3-2-4-13(11)18-6-5-15-9-18/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,17,19)
InChIKeySIGASVRSCOMBDL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.47
Rot. Bonds4

About N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61215361) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61215361
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC2CCCC2n2ccnc2)C1
InChIInChI=1S/C14H22N4O2/c1-20-10-7-12(16-8-10)14(19)17-11-3-2-4-13(11)18-6-5-15-9-18/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,17,19)
InChIKeySIGASVRSCOMBDL-UHFFFAOYSA-N
XLogP0.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide (CID 61215361) is N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC2CCCC2n2ccnc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SIGASVRSCOMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-10-7-12(16-8-10)14(19)17-11-3-2-4-13(11)18-6-5-15-9-18/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61215361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).