5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide

C14H22N4 — CID 115489708

IUPAC5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CC)(CC)C2)cn1
InChIInChI=1S/C14H22N4/c1-3-14(4-2)7-8-18(10-14)11-5-6-12(13(15)16)17-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H3,15,16)
InChIKeyRZWZKAISMSICAQ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.38
Rot. Bonds4

About 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide

5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide (PubChem CID 115489708) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
PubChem CID115489708
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CC)(CC)C2)cn1
InChIInChI=1S/C14H22N4/c1-3-14(4-2)7-8-18(10-14)11-5-6-12(13(15)16)17-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H3,15,16)
InChIKeyRZWZKAISMSICAQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.38
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

5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 115491017
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263
5-(8-azaspiro[4.5]decan-8-yl)pyridine-2-carboximidamide
CID 115489654
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131740
5-(2-ethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 115489519
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 80513596
6-(4,4-diethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 64596347
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
CID 115489641
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 63160900
3-bromo-4-(3,3-diethylpyrrolidin-1-yl)benzenecarboximidamide
CID 82799217

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide (CID 115489708) is 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N2CCC(CC)(CC)C2)cn1.
What is the InChIKey of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is RZWZKAISMSICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-14(4-2)7-8-18(10-14)11-5-6-12(13(15)16)17-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H3,15,16).
What are the key properties of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 115489708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).