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

C20H25ClN4 — CID 45236980

IUPAC5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESClc1ccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)nc1
InChIInChI=1S/C20H25ClN4/c21-19-3-4-20(23-13-19)25-11-7-18(15-25)17-5-9-24(10-6-17)14-16-2-1-8-22-12-16/h1-4,8,12-13,17-18H,5-7,9-11,14-15H2
InChIKeyFROBBYKGNMRFFB-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine

5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (PubChem CID 45236980) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
PubChem CID45236980
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESClc1ccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)nc1
InChIInChI=1S/C20H25ClN4/c21-19-3-4-20(23-13-19)25-11-7-18(15-25)17-5-9-24(10-6-17)14-16-2-1-8-22-12-16/h1-4,8,12-13,17-18H,5-7,9-11,14-15H2
InChIKeyFROBBYKGNMRFFB-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 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (CID 45236980) is 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is Clc1ccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)nc1.
What is the InChIKey of 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The InChIKey is FROBBYKGNMRFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4/c21-19-3-4-20(23-13-19)25-11-7-18(15-25)17-5-9-24(10-6-17)14-16-2-1-8-22-12-16/h1-4,8,12-13,17-18H,5-7,9-11,14-15H2.
What are the key properties of 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
5-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 5-chloro-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 45236980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).