2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine

C22H30N4 — CID 24813216

IUPAC2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESCc1cccc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2cccc(C)n2)n1
InChIInChI=1S/C22H30N4/c1-17-7-3-9-19(23-17)15-25-13-5-11-21(25)22-12-6-14-26(22)16-20-10-4-8-18(2)24-20/h3-4,7-10,21-22H,5-6,11-16H2,1-2H3/t21-,22-/m1/s1
InChIKeySXBLLUAXFAKRPB-FGZHOGPDSA-N
MW350.51 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine

2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 24813216) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID24813216
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESCc1cccc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2cccc(C)n2)n1
InChIInChI=1S/C22H30N4/c1-17-7-3-9-19(23-17)15-25-13-5-11-21(25)22-12-6-14-26(22)16-20-10-4-8-18(2)24-20/h3-4,7-10,21-22H,5-6,11-16H2,1-2H3/t21-,22-/m1/s1
InChIKeySXBLLUAXFAKRPB-FGZHOGPDSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine (CID 24813216) is 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine is Cc1cccc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2cccc(C)n2)n1.
What is the InChIKey of 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is SXBLLUAXFAKRPB-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H30N4/c1-17-7-3-9-19(23-17)15-25-13-5-11-21(25)22-12-6-14-26(22)16-20-10-4-8-18(2)24-20/h3-4,7-10,21-22H,5-6,11-16H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine?
2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 350.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 24813216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).