4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide

C11H18N4O — CID 114486913

IUPAC4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCCn1cncc1C1CNCC1C(N)=O
InChIInChI=1S/C11H18N4O/c1-2-3-15-7-14-6-10(15)8-4-13-5-9(8)11(12)16/h6-9,13H,2-5H2,1H3,(H2,12,16)
InChIKeyDZALFQQQHPZKTH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.08
Rot. Bonds4

About 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide

4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 114486913) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID114486913
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCCn1cncc1C1CNCC1C(N)=O
InChIInChI=1S/C11H18N4O/c1-2-3-15-7-14-6-10(15)8-4-13-5-9(8)11(12)16/h6-9,13H,2-5H2,1H3,(H2,12,16)
InChIKeyDZALFQQQHPZKTH-UHFFFAOYSA-N
XLogP0.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide (CID 114486913) is 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide is CCCn1cncc1C1CNCC1C(N)=O.
What is the InChIKey of 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is DZALFQQQHPZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-15-7-14-6-10(15)8-4-13-5-9(8)11(12)16/h6-9,13H,2-5H2,1H3,(H2,12,16).
What are the key properties of 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide?
4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylimidazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114486913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).