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

C21H33N5O — CID 57420733

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCN(C)c1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C21H33N5O/c1-3-23(2)20-8-7-17-15-24(10-9-19(17)22-20)16-21(27)26-13-11-25(12-14-26)18-5-4-6-18/h7-8,18H,3-6,9-16H2,1-2H3
InChIKeySKPGIKWIBKGIIB-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.59
Rot. Bonds5

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

1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 57420733) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID57420733
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCN(C)c1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C21H33N5O/c1-3-23(2)20-8-7-17-15-24(10-9-19(17)22-20)16-21(27)26-13-11-25(12-14-26)18-5-4-6-18/h7-8,18H,3-6,9-16H2,1-2H3
InChIKeySKPGIKWIBKGIIB-UHFFFAOYSA-N
XLogP1.59
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-methylamino]acetonitrile
CID 57421117
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57421098
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57421110
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57462232
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 57420700
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 59463557
1-(4-cyclobutylpiperazin-1-yl)-2-(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420859
1-[(9aS)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 59463575
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 143540872
2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420752
2-[2-(6-chloropyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420701

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 57420733) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CCN(C)c1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is SKPGIKWIBKGIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-3-23(2)20-8-7-17-15-24(10-9-19(17)22-20)16-21(27)26-13-11-25(12-14-26)18-5-4-6-18/h7-8,18H,3-6,9-16H2,1-2H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 57420733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).