3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine

C18H22N2 — CID 50959459

IUPAC3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
SMILESCc1cnccc1-c1cccc(C(C)N2CCCC2)c1
InChIInChI=1S/C18H22N2/c1-14-13-19-9-8-18(14)17-7-5-6-16(12-17)15(2)20-10-3-4-11-20/h5-9,12-13,15H,3-4,10-11H2,1-2H3
InChIKeyYUSNNVHXGOEHDM-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.21
Rot. Bonds3

About 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine

3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine (PubChem CID 50959459) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
PubChem CID50959459
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
SMILESCc1cnccc1-c1cccc(C(C)N2CCCC2)c1
InChIInChI=1S/C18H22N2/c1-14-13-19-9-8-18(14)17-7-5-6-16(12-17)15(2)20-10-3-4-11-20/h5-9,12-13,15H,3-4,10-11H2,1-2H3
InChIKeyYUSNNVHXGOEHDM-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
CID 95125725
1-ethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122566893
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine?
The IUPAC name of 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine (CID 50959459) is 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine.
What is the SMILES notation for 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine?
The canonical SMILES for 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine is Cc1cnccc1-c1cccc(C(C)N2CCCC2)c1.
What is the InChIKey of 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine?
The InChIKey is YUSNNVHXGOEHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-13-19-9-8-18(14)17-7-5-6-16(12-17)15(2)20-10-3-4-11-20/h5-9,12-13,15H,3-4,10-11H2,1-2H3.
What are the key properties of 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine?
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine has a molecular weight of 266.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine is sourced from PubChem (CID 50959459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).