2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride

C11H17ClN4O — CID 82240615

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1N1CCCC1CO
InChIInChI=1S/C11H16N4O.ClH/c12-10(13)9-4-1-5-14-11(9)15-6-2-3-8(15)7-16;/h1,4-5,8,16H,2-3,6-7H2,(H3,12,13);1H
InChIKeyJDIGOCYEZOOCGH-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.75
Rot. Bonds3

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride

2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride (PubChem CID 82240615) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride
PubChem CID82240615
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1N1CCCC1CO
InChIInChI=1S/C11H16N4O.ClH/c12-10(13)9-4-1-5-14-11(9)15-6-2-3-8(15)7-16;/h1,4-5,8,16H,2-3,6-7H2,(H3,12,13);1H
InChIKeyJDIGOCYEZOOCGH-UHFFFAOYSA-N
XLogP0.75
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.75
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

[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 55075927
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825
6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 61406687
2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide
CID 62993614
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877395
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 113385847

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride (CID 82240615) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccnc1N1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride?
The InChIKey is JDIGOCYEZOOCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.ClH/c12-10(13)9-4-1-5-14-11(9)15-6-2-3-8(15)7-16;/h1,4-5,8,16H,2-3,6-7H2,(H3,12,13);1H.
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride has a molecular weight of 256.74 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 82240615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).