3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide

C11H18N4O — CID 107422539

IUPAC3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide
SMILESCC1(NC(=O)CCn2ccnc2)CCNC1
InChIInChI=1S/C11H18N4O/c1-11(3-4-12-8-11)14-10(16)2-6-15-7-5-13-9-15/h5,7,9,12H,2-4,6,8H2,1H3,(H,14,16)
InChIKeyGVYXFSHZMBWUJR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds4

About 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide

3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide (PubChem CID 107422539) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide
PubChem CID107422539
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide
SMILESCC1(NC(=O)CCn2ccnc2)CCNC1
InChIInChI=1S/C11H18N4O/c1-11(3-4-12-8-11)14-10(16)2-6-15-7-5-13-9-15/h5,7,9,12H,2-4,6,8H2,1H3,(H,14,16)
InChIKeyGVYXFSHZMBWUJR-UHFFFAOYSA-N
XLogP0.14
TPSA58.95 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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-(4-methylpyrrolidin-3-yl)propanamide
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3-imidazol-1-ylpropanoyl chloride
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N-(3-methylpyrrolidin-3-yl)decanamide
CID 107422812
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
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3-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 120811822
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
1-[(3-imidazol-1-ylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440880
3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
CID 130628505
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
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N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide (CID 107422539) is 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide is CC1(NC(=O)CCn2ccnc2)CCNC1.
What is the InChIKey of 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide?
The InChIKey is GVYXFSHZMBWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(3-4-12-8-11)14-10(16)2-6-15-7-5-13-9-15/h5,7,9,12H,2-4,6,8H2,1H3,(H,14,16).
What are the key properties of 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide?
3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 107422539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).