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

C11H16N4O — CID 103356330

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)(O)C2)ccn1
InChIInChI=1S/C11H16N4O/c1-11(16)3-5-15(7-11)8-2-4-14-9(6-8)10(12)13/h2,4,6,16H,3,5,7H2,1H3,(H3,12,13)
InChIKeyVGPHMEYEOOMJNV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.33
Rot. Bonds2

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

4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide (PubChem CID 103356330) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
PubChem CID103356330
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)(O)C2)ccn1
InChIInChI=1S/C11H16N4O/c1-11(16)3-5-15(7-11)8-2-4-14-9(6-8)10(12)13/h2,4,6,16H,3,5,7H2,1H3,(H3,12,13)
InChIKeyVGPHMEYEOOMJNV-UHFFFAOYSA-N
XLogP0.33
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.33
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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Related Compounds

4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide
CID 62937602
3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104924644
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
4-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carboximidamide
CID 55156475
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 103356345
1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103357727
4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
CID 114538182
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide (CID 103356330) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCC(C)(O)C2)ccn1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is VGPHMEYEOOMJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(16)3-5-15(7-11)8-2-4-14-9(6-8)10(12)13/h2,4,6,16H,3,5,7H2,1H3,(H3,12,13).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide has a molecular weight of 220.28 g/mol, XLogP of 0.33, 2 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)pyridine-2-carboximidamide is sourced from PubChem (CID 103356330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).