3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine

C21H28N4 — CID 45243979

IUPAC3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESCc1cccnc1N1CCC(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C21H28N4/c1-17-4-2-10-23-21(17)25-13-8-20(16-25)19-6-11-24(12-7-19)15-18-5-3-9-22-14-18/h2-5,9-10,14,19-20H,6-8,11-13,15-16H2,1H3
InChIKeyQUFRQGMVVLRNAL-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.52
Rot. Bonds4

About 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine

3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (PubChem CID 45243979) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
PubChem CID45243979
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESCc1cccnc1N1CCC(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C21H28N4/c1-17-4-2-10-23-21(17)25-13-8-20(16-25)19-6-11-24(12-7-19)15-18-5-3-9-22-14-18/h2-5,9-10,14,19-20H,6-8,11-13,15-16H2,1H3
InChIKeyQUFRQGMVVLRNAL-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (CID 45243979) is 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is Cc1cccnc1N1CCC(C2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The InChIKey is QUFRQGMVVLRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-17-4-2-10-23-21(17)25-13-8-20(16-25)19-6-11-24(12-7-19)15-18-5-3-9-22-14-18/h2-5,9-10,14,19-20H,6-8,11-13,15-16H2,1H3.
What are the key properties of 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine has a molecular weight of 336.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 45243979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).