3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

C11H16N4O — CID 62943758

IUPAC3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCC(O)C1
InChIInChI=1S/C11H16N4O/c12-11(13)10-8(2-1-4-14-10)6-15-5-3-9(16)7-15/h1-2,4,9,16H,3,5-7H2,(H3,12,13)
InChIKeyQKSRBEXLEYMPNX-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.07
Rot. Bonds3

About 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 62943758) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID62943758
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCC(O)C1
InChIInChI=1S/C11H16N4O/c12-11(13)10-8(2-1-4-14-10)6-15-5-3-9(16)7-15/h1-2,4,9,16H,3,5-7H2,(H3,12,13)
InChIKeyQKSRBEXLEYMPNX-UHFFFAOYSA-N
XLogP-0.07
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.07
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

3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62893702
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carboximidamide
CID 79932125
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63158312
3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide
CID 62895733
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
3-chloro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667905
3-[(2-propylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 83055860
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
3-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 103533736
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 102958093

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (CID 62943758) is 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN1CCC(O)C1.
What is the InChIKey of 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is QKSRBEXLEYMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(13)10-8(2-1-4-14-10)6-15-5-3-9(16)7-15/h1-2,4,9,16H,3,5-7H2,(H3,12,13).
What are the key properties of 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 220.28 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62943758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).