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

C23H37N5O — CID 57421098

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCCC(C)Nc1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C23H37N5O/c1-3-5-18(2)24-22-9-8-19-16-26(11-10-21(19)25-22)17-23(29)28-14-12-27(13-15-28)20-6-4-7-20/h8-9,18,20H,3-7,10-17H2,1-2H3,(H,24,25)
InChIKeyNPJAGBOKCAPBSP-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.74
Rot. Bonds7

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

1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 57421098) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID57421098
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCCC(C)Nc1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C23H37N5O/c1-3-5-18(2)24-22-9-8-19-16-26(11-10-21(19)25-22)17-23(29)28-14-12-27(13-15-28)20-6-4-7-20/h8-9,18,20H,3-7,10-17H2,1-2H3,(H,24,25)
InChIKeyNPJAGBOKCAPBSP-UHFFFAOYSA-N
XLogP2.74
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 57421098) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CCCC(C)Nc1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is NPJAGBOKCAPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-3-5-18(2)24-22-9-8-19-16-26(11-10-21(19)25-22)17-23(29)28-14-12-27(13-15-28)20-6-4-7-20/h8-9,18,20H,3-7,10-17H2,1-2H3,(H,24,25).
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 399.58 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 57421098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).