6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C15H24N2OS — CID 82521858

IUPAC6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCCn1c2c(cc(CS)c1=O)CN(C)CC2
InChIInChI=1S/C15H24N2OS/c1-3-4-5-7-17-14-6-8-16(2)10-12(14)9-13(11-19)15(17)18/h9,19H,3-8,10-11H2,1-2H3
InChIKeyWZZRESDNAJVIGV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.46
Rot. Bonds5

About 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521858) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521858
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCCn1c2c(cc(CS)c1=O)CN(C)CC2
InChIInChI=1S/C15H24N2OS/c1-3-4-5-7-17-14-6-8-16(2)10-12(14)9-13(11-19)15(17)18/h9,19H,3-8,10-11H2,1-2H3
InChIKeyWZZRESDNAJVIGV-UHFFFAOYSA-N
XLogP2.46
TPSA25.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466803
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
3-(1-butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
CID 82522396

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521858) is 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCCCn1c2c(cc(CS)c1=O)CN(C)CC2.
What is the InChIKey of 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is WZZRESDNAJVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-4-5-7-17-14-6-8-16(2)10-12(14)9-13(11-19)15(17)18/h9,19H,3-8,10-11H2,1-2H3.
What are the key properties of 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 280.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).