2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine

C21H28N4 — CID 45224124

IUPAC2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESCc1cccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)n1
InChIInChI=1S/C21H28N4/c1-17-4-2-6-21(23-17)25-13-9-20(16-25)19-7-11-24(12-8-19)15-18-5-3-10-22-14-18/h2-6,10,14,19-20H,7-9,11-13,15-16H2,1H3
InChIKeyXJKSXXFBBYBVAU-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine

2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (PubChem CID 45224124) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
PubChem CID45224124
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
SMILESCc1cccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)n1
InChIInChI=1S/C21H28N4/c1-17-4-2-6-21(23-17)25-13-9-20(16-25)19-7-11-24(12-8-19)15-18-5-3-10-22-14-18/h2-6,10,14,19-20H,7-9,11-13,15-16H2,1H3
InChIKeyXJKSXXFBBYBVAU-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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Related Compounds

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CID 5587
Amprolium
CID 73341
Amprolium ion
CID 2178
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CID 52949700
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
4-(Pyridin-3-yl)pyrimidin-2-amine
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CID 49853203
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CID 11344157
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
Nct-502
CID 49853368

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine (CID 45224124) is 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is Cc1cccc(N2CCC(C3CCN(Cc4cccnc4)CC3)C2)n1.
What is the InChIKey of 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
The InChIKey is XJKSXXFBBYBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-17-4-2-6-21(23-17)25-13-9-20(16-25)19-7-11-24(12-8-19)15-18-5-3-10-22-14-18/h2-6,10,14,19-20H,7-9,11-13,15-16H2,1H3.
What are the key properties of 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine?
2-methyl-6-[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 2-methyl-6-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 45224124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).