3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine

C18H18N2S — CID 142174825

IUPAC3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine
SMILESCC(c1cccnc1)c1ccc(C(C)c2cccnc2)s1
InChIInChI=1S/C18H18N2S/c1-13(15-5-3-9-19-11-15)17-7-8-18(21-17)14(2)16-6-4-10-20-12-16/h3-14H,1-2H3
InChIKeyFDMFJOWHCNAJBJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.84
Rot. Bonds4

About 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine

3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine (PubChem CID 142174825) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine
PubChem CID142174825
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine
SMILESCC(c1cccnc1)c1ccc(C(C)c2cccnc2)s1
InChIInChI=1S/C18H18N2S/c1-13(15-5-3-9-19-11-15)17-7-8-18(21-17)14(2)16-6-4-10-20-12-16/h3-14H,1-2H3
InChIKeyFDMFJOWHCNAJBJ-UHFFFAOYSA-N
XLogP4.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-phenylethyl]pyridine
CID 13287121
(5-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 43198853
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
2,3,5-trimethyl-6-(1-pyridin-3-ylethyl)cyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 14277766
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
3-(1-pyridin-3-ylethyl)benzaldehyde
CID 174510753

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine?
The IUPAC name of 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine (CID 142174825) is 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine.
What is the SMILES notation for 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine?
The canonical SMILES for 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine is CC(c1cccnc1)c1ccc(C(C)c2cccnc2)s1.
What is the InChIKey of 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine?
The InChIKey is FDMFJOWHCNAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13(15-5-3-9-19-11-15)17-7-8-18(21-17)14(2)16-6-4-10-20-12-16/h3-14H,1-2H3.
What are the key properties of 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine?
3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine has a molecular weight of 294.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine is sourced from PubChem (CID 142174825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).