4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

C12H18N4O — CID 103356372

IUPAC4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(C)(O)C2)ccn1
InChIInChI=1S/C12H18N4O/c1-12(17)3-5-16(8-12)7-9-2-4-15-10(6-9)11(13)14/h2,4,6,17H,3,5,7-8H2,1H3,(H3,13,14)
InChIKeyQUDLENRWQXPSIO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.32
Rot. Bonds3

About 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 103356372) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID103356372
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(C)(O)C2)ccn1
InChIInChI=1S/C12H18N4O/c1-12(17)3-5-16(8-12)7-9-2-4-15-10(6-9)11(13)14/h2,4,6,17H,3,5,7-8H2,1H3,(H3,13,14)
InChIKeyQUDLENRWQXPSIO-UHFFFAOYSA-N
XLogP0.32
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (CID 103356372) is 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCC(C)(O)C2)ccn1.
What is the InChIKey of 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is QUDLENRWQXPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(17)3-5-16(8-12)7-9-2-4-15-10(6-9)11(13)14/h2,4,6,17H,3,5,7-8H2,1H3,(H3,13,14).
What are the key properties of 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 103356372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).