1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide

C14H19N3OS — CID 82521558

IUPAC1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
SMILESCCN1CCc2c(cc(C(N)=S)c(=O)n2C2CC2)C1
InChIInChI=1S/C14H19N3OS/c1-2-16-6-5-12-9(8-16)7-11(13(15)19)14(18)17(12)10-3-4-10/h7,10H,2-6,8H2,1H3,(H2,15,19)
InChIKeyWJMAYAQDBJNYMP-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.20
Rot. Bonds3

About 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide

1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide (PubChem CID 82521558) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide.

Molecular Properties

Compound Name1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
PubChem CID82521558
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
SMILESCCN1CCc2c(cc(C(N)=S)c(=O)n2C2CC2)C1
InChIInChI=1S/C14H19N3OS/c1-2-16-6-5-12-9(8-16)7-11(13(15)19)14(18)17(12)10-3-4-10/h7,10H,2-6,8H2,1H3,(H2,15,19)
InChIKeyWJMAYAQDBJNYMP-UHFFFAOYSA-N
XLogP1.20
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82523116
3-amino-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466804
3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521429
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 82522253
3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189237
3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189243
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167510777
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide?
The IUPAC name of 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide (CID 82521558) is 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide.
What is the SMILES notation for 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide?
The canonical SMILES for 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide is CCN1CCc2c(cc(C(N)=S)c(=O)n2C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide?
The InChIKey is WJMAYAQDBJNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-16-6-5-12-9(8-16)7-11(13(15)19)14(18)17(12)10-3-4-10/h7,10H,2-6,8H2,1H3,(H2,15,19).
What are the key properties of 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide?
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide has a molecular weight of 277.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide is sourced from PubChem (CID 82521558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).