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

C22H27N5O2 — CID 170043057

IUPAC7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc(N)cc4OC)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H27N5O2/c1-3-16-11-18-19(25-22(16)28)10-15(13-24-18)14-26-6-8-27(9-7-26)20-5-4-17(23)12-21(20)29-2/h4-5,10-13H,3,6-9,14,23H2,1-2H3,(H,25,28)
InChIKeySSKKCHDACWMJDU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.40
Rot. Bonds5

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

7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (PubChem CID 170043057) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
PubChem CID170043057
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc(N)cc4OC)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H27N5O2/c1-3-16-11-18-19(25-22(16)28)10-15(13-24-18)14-26-6-8-27(9-7-26)20-5-4-17(23)12-21(20)29-2/h4-5,10-13H,3,6-9,14,23H2,1-2H3,(H,25,28)
InChIKeySSKKCHDACWMJDU-UHFFFAOYSA-N
XLogP2.40
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 166082534
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 171487990
3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide
CID 175493905
6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856729
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889942
3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889954
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (CID 170043057) is 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4ccc(N)cc4OC)CC3)cc2[nH]c1=O.
What is the InChIKey of 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The InChIKey is SSKKCHDACWMJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-16-11-18-19(25-22(16)28)10-15(13-24-18)14-26-6-8-27(9-7-26)20-5-4-17(23)12-21(20)29-2/h4-5,10-13H,3,6-9,14,23H2,1-2H3,(H,25,28).
What are the key properties of 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 170043057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).