4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

C13H20N4 — CID 79188906

IUPAC4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CC(C)C(C)C2)ccn1
InChIInChI=1S/C13H20N4/c1-9-6-17(7-10(9)2)8-11-3-4-16-12(5-11)13(14)15/h3-5,9-10H,6-8H2,1-2H3,(H3,14,15)
InChIKeyPCLOAKQXGOMHET-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds3

About 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 79188906) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID79188906
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CC(C)C(C)C2)ccn1
InChIInChI=1S/C13H20N4/c1-9-6-17(7-10(9)2)8-11-3-4-16-12(5-11)13(14)15/h3-5,9-10H,6-8H2,1-2H3,(H3,14,15)
InChIKeyPCLOAKQXGOMHET-UHFFFAOYSA-N
XLogP1.45
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridine-2-carboximidamide
CID 66392896
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882036
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]pyridine-2-carboximidamide
CID 82695930
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882045
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (CID 79188906) is 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CC(C)C(C)C2)ccn1.
What is the InChIKey of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is PCLOAKQXGOMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-6-17(7-10(9)2)8-11-3-4-16-12(5-11)13(14)15/h3-5,9-10H,6-8H2,1-2H3,(H3,14,15).
What are the key properties of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 79188906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).