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

C12H18N2OS — CID 82521667

IUPAC6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CS)c(=O)n2C)C1
InChIInChI=1S/C12H18N2OS/c1-3-14-5-4-11-9(7-14)6-10(8-16)12(15)13(11)2/h6,16H,3-5,7-8H2,1-2H3
InChIKeySZPYCXLHUNTDMT-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.19
Rot. Bonds2

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

6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521667) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521667
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CS)c(=O)n2C)C1
InChIInChI=1S/C12H18N2OS/c1-3-14-5-4-11-9(7-14)6-10(8-16)12(15)13(11)2/h6,16H,3-5,7-8H2,1-2H3
InChIKeySZPYCXLHUNTDMT-UHFFFAOYSA-N
XLogP1.19
TPSA25.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521684
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675
6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521685
1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523341
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167510777
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521582
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466803

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521667) is 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCN1CCc2c(cc(CS)c(=O)n2C)C1.
What is the InChIKey of 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is SZPYCXLHUNTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-14-5-4-11-9(7-14)6-10(8-16)12(15)13(11)2/h6,16H,3-5,7-8H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 238.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).