3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine

C16H19N3 — CID 146126331

IUPAC3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCc1cncc(CN2CCCC2c2cccnc2)c1
InChIInChI=1S/C16H19N3/c1-13-8-14(10-18-9-13)12-19-7-3-5-16(19)15-4-2-6-17-11-15/h2,4,6,8-11,16H,3,5,7,12H2,1H3
InChIKeyIHTUWIFWNJJABX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.12
Rot. Bonds3

About 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine

3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 146126331) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID146126331
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCc1cncc(CN2CCCC2c2cccnc2)c1
InChIInChI=1S/C16H19N3/c1-13-8-14(10-18-9-13)12-19-7-3-5-16(19)15-4-2-6-17-11-15/h2,4,6,8-11,16H,3,5,7,12H2,1H3
InChIKeyIHTUWIFWNJJABX-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162630693
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine
CID 136542565

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine (CID 146126331) is 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine is Cc1cncc(CN2CCCC2c2cccnc2)c1.
What is the InChIKey of 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is IHTUWIFWNJJABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-13-8-14(10-18-9-13)12-19-7-3-5-16(19)15-4-2-6-17-11-15/h2,4,6,8-11,16H,3,5,7,12H2,1H3.
What are the key properties of 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 253.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 146126331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).