2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride

C22H34Cl4N4 — CID 71310822

IUPAC2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
SMILESCc1cccc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2cccc(C)n2)n1.Cl.Cl.Cl.Cl
InChIInChI=1S/C22H30N4.4ClH/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;4*1H/t21-,22-;;;;/m0..../s1
InChIKeyZWSAWWIIHCCUJE-VDUNKYASSA-N
MW496.35 g/mol
LogP5.41
Rot. Bonds5

About 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride

2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride (PubChem CID 71310822) has the molecular formula C22H34Cl4N4 and a molecular weight of 496.35 g/mol. Its IUPAC name is 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride.

Molecular Properties

Compound Name2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
PubChem CID71310822
Molecular FormulaC22H34Cl4N4
Molecular Weight496.35 g/mol
Exact Mass494.15
IUPAC Name2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
SMILESCc1cccc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2cccc(C)n2)n1.Cl.Cl.Cl.Cl
InChIInChI=1S/C22H30N4.4ClH/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;4*1H/t21-,22-;;;;/m0..../s1
InChIKeyZWSAWWIIHCCUJE-VDUNKYASSA-N
XLogP5.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.35
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
The IUPAC name of 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride (CID 71310822) is 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride.
What is the SMILES notation for 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
The canonical SMILES for 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride is Cc1cccc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2cccc(C)n2)n1.Cl.Cl.Cl.Cl.
What is the InChIKey of 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
The InChIKey is ZWSAWWIIHCCUJE-VDUNKYASSA-N. The full InChI is InChI=1S/C22H30N4.4ClH/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;4*1H/t21-,22-;;;;/m0..../s1.
What are the key properties of 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride has a molecular weight of 496.35 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(2S)-2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride is sourced from PubChem (CID 71310822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).