3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine

C15H20N4 — CID 114722754

IUPAC3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine
SMILESCc1cnccc1Cn1cncc1C1(C)CCNC1
InChIInChI=1S/C15H20N4/c1-12-7-16-5-3-13(12)9-19-11-18-8-14(19)15(2)4-6-17-10-15/h3,5,7-8,11,17H,4,6,9-10H2,1-2H3
InChIKeyAZDHKWWYMFXXIU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.89
Rot. Bonds3

About 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine

3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine (PubChem CID 114722754) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine
PubChem CID114722754
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine
SMILESCc1cnccc1Cn1cncc1C1(C)CCNC1
InChIInChI=1S/C15H20N4/c1-12-7-16-5-3-13(12)9-19-11-18-8-14(19)15(2)4-6-17-10-15/h3,5,7-8,11,17H,4,6,9-10H2,1-2H3
InChIKeyAZDHKWWYMFXXIU-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine (CID 114722754) is 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine is Cc1cnccc1Cn1cncc1C1(C)CCNC1.
What is the InChIKey of 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine?
The InChIKey is AZDHKWWYMFXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-7-16-5-3-13(12)9-19-11-18-8-14(19)15(2)4-6-17-10-15/h3,5,7-8,11,17H,4,6,9-10H2,1-2H3.
What are the key properties of 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine?
3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 114722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).