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

C12H18N4O — CID 102781467

IUPAC4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)C2CO)ccn1
InChIInChI=1S/C12H18N4O/c1-8-3-5-16(11(8)7-17)9-2-4-15-10(6-9)12(13)14/h2,4,6,8,11,17H,3,5,7H2,1H3,(H3,13,14)
InChIKeyJHDKUTDHSQPODE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.57
Rot. Bonds3

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

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide (PubChem CID 102781467) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
PubChem CID102781467
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)C2CO)ccn1
InChIInChI=1S/C12H18N4O/c1-8-3-5-16(11(8)7-17)9-2-4-15-10(6-9)12(13)14/h2,4,6,8,11,17H,3,5,7H2,1H3,(H3,13,14)
InChIKeyJHDKUTDHSQPODE-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
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-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide
CID 102781499
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 102781481
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 62925971
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
CID 114538182

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide (CID 102781467) is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCC(C)C2CO)ccn1.
What is the InChIKey of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide?
The InChIKey is JHDKUTDHSQPODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-3-5-16(11(8)7-17)9-2-4-15-10(6-9)12(13)14/h2,4,6,8,11,17H,3,5,7H2,1H3,(H3,13,14).
What are the key properties of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide?
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 102781467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).