3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine

C23H21N3S — CID 141038930

IUPAC3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine
SMILESCSc1cccc(-c2cc(CCCc3cnc4ncccc4c3)ccn2)c1
InChIInChI=1S/C23H21N3S/c1-27-21-9-3-7-19(15-21)22-14-17(10-12-24-22)5-2-6-18-13-20-8-4-11-25-23(20)26-16-18/h3-4,7-16H,2,5-6H2,1H3
InChIKeyYJDVVQXJNJIKMX-UHFFFAOYSA-N
MW371.51 g/mol
LogP5.59
Rot. Bonds6

About 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine

3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine (PubChem CID 141038930) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine.

Molecular Properties

Compound Name3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine
PubChem CID141038930
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC Name3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine
SMILESCSc1cccc(-c2cc(CCCc3cnc4ncccc4c3)ccn2)c1
InChIInChI=1S/C23H21N3S/c1-27-21-9-3-7-19(15-21)22-14-17(10-12-24-22)5-2-6-18-13-20-8-4-11-25-23(20)26-16-18/h3-4,7-16H,2,5-6H2,1H3
InChIKeyYJDVVQXJNJIKMX-UHFFFAOYSA-N
XLogP5.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-m-Tolyl-1,8-naphthyridine
CID 44434718
2-Phenyl-1,8-naphthyridine
CID 12333592
1,8-Naphthyridine, 2-methyl-
CID 74073
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(pyridin-3-yl)ethyl]amine
CID 24971389
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
2-(3,4-Dimethylphenyl)-1,8-naphthyridine
CID 44434720
7-Methyl-2-m-tolylpyrido[2,3-d]pyrimidine
CID 44435026
2,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3-methylphenylthio)methyl), 0.7 hydrate
CID 464024
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 56969052
6-(4-Dimethylamino-phenyl)-7-pyridin-4-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10154451
N1-(7-(4-(methylthio)phenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10215165

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine?
The IUPAC name of 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine (CID 141038930) is 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine.
What is the SMILES notation for 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine?
The canonical SMILES for 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine is CSc1cccc(-c2cc(CCCc3cnc4ncccc4c3)ccn2)c1.
What is the InChIKey of 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine?
The InChIKey is YJDVVQXJNJIKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3S/c1-27-21-9-3-7-19(15-21)22-14-17(10-12-24-22)5-2-6-18-13-20-8-4-11-25-23(20)26-16-18/h3-4,7-16H,2,5-6H2,1H3.
What are the key properties of 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine?
3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine has a molecular weight of 371.51 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-methylsulfanylphenyl)-4-pyridinyl]propyl]-1,8-naphthyridine is sourced from PubChem (CID 141038930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).