2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine

C15H19N3OS — CID 143180977

IUPAC2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine
SMILESCOc1ccc2nccc(N3CCC(CSC)C3)c2n1
InChIInChI=1S/C15H19N3OS/c1-19-14-4-3-12-15(17-14)13(5-7-16-12)18-8-6-11(9-18)10-20-2/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyBXZRPLJBPIQSAF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.83
Rot. Bonds4

About 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine

2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine (PubChem CID 143180977) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine
PubChem CID143180977
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine
SMILESCOc1ccc2nccc(N3CCC(CSC)C3)c2n1
InChIInChI=1S/C15H19N3OS/c1-19-14-4-3-12-15(17-14)13(5-7-16-12)18-8-6-11(9-18)10-20-2/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyBXZRPLJBPIQSAF-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-ol
CID 58955133
8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine
CID 143181010
[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methanamine
CID 66953692
N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine
CID 143180996
(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 118289426
3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 142701574
[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol
CID 68848241
8-[2-(3-ethylpyrrolidin-1-yl)ethyl]-2-methoxy-1,5-naphthyridine
CID 71178673
8-(cyclohexylmethoxy)-2-methoxy-1,5-naphthyridine
CID 142884547
[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 59026168
(5R)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096691
(2R)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidine-2-carboxamide
CID 173033650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine?
The IUPAC name of 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine (CID 143180977) is 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine is COc1ccc2nccc(N3CCC(CSC)C3)c2n1.
What is the InChIKey of 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine?
The InChIKey is BXZRPLJBPIQSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-14-4-3-12-15(17-14)13(5-7-16-12)18-8-6-11(9-18)10-20-2/h3-5,7,11H,6,8-10H2,1-2H3.
What are the key properties of 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine?
2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine has a molecular weight of 289.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 143180977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).