8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine

C15H19N3OS — CID 143181010

IUPAC8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine
SMILESCCSC1CCN(c2ccnc3ccc(OC)nc23)C1
InChIInChI=1S/C15H19N3OS/c1-3-20-11-7-9-18(10-11)13-6-8-16-12-4-5-14(19-2)17-15(12)13/h4-6,8,11H,3,7,9-10H2,1-2H3
InChIKeyVLCNAUPUWQUGOX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.97
Rot. Bonds4

About 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine

8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine (PubChem CID 143181010) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine.

Molecular Properties

Compound Name8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine
PubChem CID143181010
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine
SMILESCCSC1CCN(c2ccnc3ccc(OC)nc23)C1
InChIInChI=1S/C15H19N3OS/c1-3-20-11-7-9-18(10-11)13-6-8-16-12-4-5-14(19-2)17-15(12)13/h4-6,8,11H,3,7,9-10H2,1-2H3
InChIKeyVLCNAUPUWQUGOX-UHFFFAOYSA-N
XLogP2.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine?
The IUPAC name of 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine (CID 143181010) is 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine.
What is the SMILES notation for 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine?
The canonical SMILES for 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine is CCSC1CCN(c2ccnc3ccc(OC)nc23)C1.
What is the InChIKey of 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine?
The InChIKey is VLCNAUPUWQUGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-20-11-7-9-18(10-11)13-6-8-16-12-4-5-14(19-2)17-15(12)13/h4-6,8,11H,3,7,9-10H2,1-2H3.
What are the key properties of 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine?
8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine has a molecular weight of 289.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine is sourced from PubChem (CID 143181010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).