4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

C15H23N5O — CID 63882045

IUPAC4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(N3CCOCC3)C2)ccn1
InChIInChI=1S/C15H23N5O/c16-15(17)14-9-12(1-3-18-14)10-19-4-2-13(11-19)20-5-7-21-8-6-20/h1,3,9,13H,2,4-8,10-11H2,(H3,16,17)
InChIKeyWHEPJSZDXMIBOO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.27
Rot. Bonds4

About 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide

4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 63882045) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID63882045
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(N3CCOCC3)C2)ccn1
InChIInChI=1S/C15H23N5O/c16-15(17)14-9-12(1-3-18-14)10-19-4-2-13(11-19)20-5-7-21-8-6-20/h1,3,9,13H,2,4-8,10-11H2,(H3,16,17)
InChIKeyWHEPJSZDXMIBOO-UHFFFAOYSA-N
XLogP0.27
TPSA78.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridine-2-carboximidamide
CID 66392896
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]pyridine-2-carboximidamide
CID 82695930
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-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 63170283
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169493

Frequently Asked Questions

What is the IUPAC name of 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (CID 63882045) is 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCC(N3CCOCC3)C2)ccn1.
What is the InChIKey of 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is WHEPJSZDXMIBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c16-15(17)14-9-12(1-3-18-14)10-19-4-2-13(11-19)20-5-7-21-8-6-20/h1,3,9,13H,2,4-8,10-11H2,(H3,16,17).
What are the key properties of 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).