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

C16H25N5 — CID 63882044

IUPAC4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(N3CCCCC3)C2)ccn1
InChIInChI=1S/C16H25N5/c17-16(18)15-10-13(4-6-19-15)11-20-9-5-14(12-20)21-7-2-1-3-8-21/h4,6,10,14H,1-3,5,7-9,11-12H2,(H3,17,18)
InChIKeyBUFWPMSEDQQYQJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.43
Rot. Bonds4

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

4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 63882044) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID63882044
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(N3CCCCC3)C2)ccn1
InChIInChI=1S/C16H25N5/c17-16(18)15-10-13(4-6-19-15)11-20-9-5-14(12-20)21-7-2-1-3-8-21/h4,6,10,14H,1-3,5,7-9,11-12H2,(H3,17,18)
InChIKeyBUFWPMSEDQQYQJ-UHFFFAOYSA-N
XLogP1.43
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.43
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'}

Analyze 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882045
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridine-2-carboximidamide
CID 66392896
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-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
CID 63880669

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide (CID 63882044) is 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCC(N3CCCCC3)C2)ccn1.
What is the InChIKey of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is BUFWPMSEDQQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c17-16(18)15-10-13(4-6-19-15)11-20-9-5-14(12-20)21-7-2-1-3-8-21/h4,6,10,14H,1-3,5,7-9,11-12H2,(H3,17,18).
What are the key properties of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide?
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 287.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).