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

C21H28N4 — CID 45237033

IUPAC4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESCc1ccnc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)c1
InChIInChI=1S/C21H28N4/c1-17-4-9-23-21(13-17)25-12-7-20(16-25)19-5-10-24(11-6-19)15-18-3-2-8-22-14-18/h2-4,8-9,13-14,19-20H,5-7,10-12,15-16H2,1H3
InChIKeyCVKDNNHTFJLCJH-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.52
Rot. Bonds4

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

4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (PubChem CID 45237033) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
PubChem CID45237033
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESCc1ccnc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)c1
InChIInChI=1S/C21H28N4/c1-17-4-9-23-21(13-17)25-12-7-20(16-25)19-5-10-24(11-6-19)15-18-3-2-8-22-14-18/h2-4,8-9,13-14,19-20H,5-7,10-12,15-16H2,1H3
InChIKeyCVKDNNHTFJLCJH-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 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (CID 45237033) is 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is Cc1ccnc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)c1.
What is the InChIKey of 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The InChIKey is CVKDNNHTFJLCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-17-4-9-23-21(13-17)25-12-7-20(16-25)19-5-10-24(11-6-19)15-18-3-2-8-22-14-18/h2-4,8-9,13-14,19-20H,5-7,10-12,15-16H2,1H3.
What are the key properties of 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
4-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 4-methyl-2-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 45237033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).