N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide

C13H22N4O — CID 110203821

IUPACN-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCCn1c(C)cnc1C1CCN(C(=O)NC)C1
InChIInChI=1S/C13H22N4O/c1-4-6-17-10(2)8-15-12(17)11-5-7-16(9-11)13(18)14-3/h8,11H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyKRFBPLAMDCSNGS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide

N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 110203821) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID110203821
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCCn1c(C)cnc1C1CCN(C(=O)NC)C1
InChIInChI=1S/C13H22N4O/c1-4-6-17-10(2)8-15-12(17)11-5-7-16(9-11)13(18)14-3/h8,11H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyKRFBPLAMDCSNGS-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 110203821) is N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide is CCCn1c(C)cnc1C1CCN(C(=O)NC)C1.
What is the InChIKey of N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is KRFBPLAMDCSNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-17-10(2)8-15-12(17)11-5-7-16(9-11)13(18)14-3/h8,11H,4-7,9H2,1-3H3,(H,14,18).
What are the key properties of N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1-propylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110203821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).