3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C19H26N4OS — CID 177022419

IUPAC3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(C(=S)C(C)C)CC3)cc2[nH]c1=O
InChIInChI=1S/C19H26N4OS/c1-4-15-10-16-17(21-18(15)24)9-14(11-20-16)12-22-5-7-23(8-6-22)19(25)13(2)3/h9-11,13H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyLAMSWYZDVFEUHJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.59
Rot. Bonds4

About 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 177022419) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID177022419
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(C(=S)C(C)C)CC3)cc2[nH]c1=O
InChIInChI=1S/C19H26N4OS/c1-4-15-10-16-17(21-18(15)24)9-14(11-20-16)12-22-5-7-23(8-6-22)19(25)13(2)3/h9-11,13H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyLAMSWYZDVFEUHJ-UHFFFAOYSA-N
XLogP2.59
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.59
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

7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 177022356
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889942
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
(2Z,4E)-2,5-diamino-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpenta-2,4-dienamide
CID 174200353
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856729
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 170043057
3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889954

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 177022419) is 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(C(=S)C(C)C)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is LAMSWYZDVFEUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-4-15-10-16-17(21-18(15)24)9-14(11-20-16)12-22-5-7-23(8-6-22)19(25)13(2)3/h9-11,13H,4-8,12H2,1-3H3,(H,21,24).
What are the key properties of 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 358.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 177022419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).