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

C20H25ClN4 — CID 45242977

IUPAC3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESClc1cccnc1N1CCC(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C20H25ClN4/c21-19-4-2-9-23-20(19)25-12-7-18(15-25)17-5-10-24(11-6-17)14-16-3-1-8-22-13-16/h1-4,8-9,13,17-18H,5-7,10-12,14-15H2
InChIKeyJKUJKGOIOWWQSK-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.87
Rot. Bonds4

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

3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (PubChem CID 45242977) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
PubChem CID45242977
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESClc1cccnc1N1CCC(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C20H25ClN4/c21-19-4-2-9-23-20(19)25-12-7-18(15-25)17-5-10-24(11-6-17)14-16-3-1-8-22-13-16/h1-4,8-9,13,17-18H,5-7,10-12,14-15H2
InChIKeyJKUJKGOIOWWQSK-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (CID 45242977) is 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is Clc1cccnc1N1CCC(C2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The InChIKey is JKUJKGOIOWWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4/c21-19-4-2-9-23-20(19)25-12-7-18(15-25)17-5-10-24(11-6-17)14-16-3-1-8-22-13-16/h1-4,8-9,13,17-18H,5-7,10-12,14-15H2.
What are the key properties of 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine has a molecular weight of 356.90 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 45242977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).