3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine

C17H21N3 — CID 125006197

IUPAC3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CCC[C@@H]2CCc2ccncc2)c1
InChIInChI=1S/C17H21N3/c1-3-16(13-19-9-1)14-20-12-2-4-17(20)6-5-15-7-10-18-11-8-15/h1,3,7-11,13,17H,2,4-6,12,14H2/t17-/m1/s1
InChIKeyUELUVDQGZSRIHV-QGZVFWFLSA-N
MW267.38 g/mol
LogP3.07
Rot. Bonds5

About 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine

3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 125006197) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID125006197
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CCC[C@@H]2CCc2ccncc2)c1
InChIInChI=1S/C17H21N3/c1-3-16(13-19-9-1)14-20-12-2-4-17(20)6-5-15-7-10-18-11-8-15/h1,3,7-11,13,17H,2,4-6,12,14H2/t17-/m1/s1
InChIKeyUELUVDQGZSRIHV-QGZVFWFLSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 125016132
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
CID 117028174
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 125024542

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine (CID 125006197) is 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine is c1cncc(CN2CCC[C@@H]2CCc2ccncc2)c1.
What is the InChIKey of 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is UELUVDQGZSRIHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-16(13-19-9-1)14-20-12-2-4-17(20)6-5-15-7-10-18-11-8-15/h1,3,7-11,13,17H,2,4-6,12,14H2/t17-/m1/s1.
What are the key properties of 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 267.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 125006197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).