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

C13H21N5 — CID 81464752

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CC(C)C(N(C)C)C2)c1
InChIInChI=1S/C13H21N5/c1-9-7-18(8-11(9)17(2)3)12-6-10(13(14)15)4-5-16-12/h4-6,9,11H,7-8H2,1-3H3,(H3,14,15)
InChIKeyVANYBCYABPSSAE-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.75
Rot. Bonds3

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

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide (PubChem CID 81464752) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide
PubChem CID81464752
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CC(C)C(N(C)C)C2)c1
InChIInChI=1S/C13H21N5/c1-9-7-18(8-11(9)17(2)3)12-6-10(13(14)15)4-5-16-12/h4-6,9,11H,7-8H2,1-3H3,(H3,14,15)
InChIKeyVANYBCYABPSSAE-UHFFFAOYSA-N
XLogP0.75
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide (CID 81464752) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CC(C)C(N(C)C)C2)c1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide?
The InChIKey is VANYBCYABPSSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-7-18(8-11(9)17(2)3)12-6-10(13(14)15)4-5-16-12/h4-6,9,11H,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 81464752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).