1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C23H37N5O2 — CID 57421110

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCCOCCNc1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C23H37N5O2/c1-2-15-30-16-9-24-22-7-6-19-17-26(10-8-21(19)25-22)18-23(29)28-13-11-27(12-14-28)20-4-3-5-20/h6-7,20H,2-5,8-18H2,1H3,(H,24,25)
InChIKeyMCMDUKCVRLVDMI-UHFFFAOYSA-N
MW415.58 g/mol
LogP1.97
Rot. Bonds9

About 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 57421110) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID57421110
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCCOCCNc1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C23H37N5O2/c1-2-15-30-16-9-24-22-7-6-19-17-26(10-8-21(19)25-22)18-23(29)28-13-11-27(12-14-28)20-4-3-5-20/h6-7,20H,2-5,8-18H2,1H3,(H,24,25)
InChIKeyMCMDUKCVRLVDMI-UHFFFAOYSA-N
XLogP1.97
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 57421110) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CCCOCCNc1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is MCMDUKCVRLVDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-2-15-30-16-9-24-22-7-6-19-17-26(10-8-21(19)25-22)18-23(29)28-13-11-27(12-14-28)20-4-3-5-20/h6-7,20H,2-5,8-18H2,1H3,(H,24,25).
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 415.58 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 57421110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).