4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine

C24H25ClN2O2 — CID 171470139

IUPAC4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
SMILESCOc1ccc(-c2cc(Cl)cc(-c3cccc(OCCN4CCCC4)c3)n2)cc1
InChIInChI=1S/C24H25ClN2O2/c1-28-21-9-7-18(8-10-21)23-16-20(25)17-24(26-23)19-5-4-6-22(15-19)29-14-13-27-11-2-3-12-27/h4-10,15-17H,2-3,11-14H2,1H3
InChIKeyPVCQGIVJOZUOHR-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.55
Rot. Bonds7

About 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine

4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine (PubChem CID 171470139) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
PubChem CID171470139
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
SMILESCOc1ccc(-c2cc(Cl)cc(-c3cccc(OCCN4CCCC4)c3)n2)cc1
InChIInChI=1S/C24H25ClN2O2/c1-28-21-9-7-18(8-10-21)23-16-20(25)17-24(26-23)19-5-4-6-22(15-19)29-14-13-27-11-2-3-12-27/h4-10,15-17H,2-3,11-14H2,1H3
InChIKeyPVCQGIVJOZUOHR-UHFFFAOYSA-N
XLogP5.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
CID 58103107
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851
1-[2-[3-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 3069186
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine (CID 171470139) is 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine is COc1ccc(-c2cc(Cl)cc(-c3cccc(OCCN4CCCC4)c3)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The InChIKey is PVCQGIVJOZUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-28-21-9-7-18(8-10-21)23-16-20(25)17-24(26-23)19-5-4-6-22(15-19)29-14-13-27-11-2-3-12-27/h4-10,15-17H,2-3,11-14H2,1H3.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine has a molecular weight of 408.93 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine is sourced from PubChem (CID 171470139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).