1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone

C19H30N4O — CID 139539068

IUPAC1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCC(C)c1ccc2c(n1)CCN(C(=O)CN1CCN(C)CC1)C2
InChIInChI=1S/C19H30N4O/c1-4-15(2)17-6-5-16-13-23(8-7-18(16)20-17)19(24)14-22-11-9-21(3)10-12-22/h5-6,15H,4,7-14H2,1-3H3
InChIKeyZTUBJVAWFKNTFD-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.73
Rot. Bonds4

About 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 139539068) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID139539068
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCC(C)c1ccc2c(n1)CCN(C(=O)CN1CCN(C)CC1)C2
InChIInChI=1S/C19H30N4O/c1-4-15(2)17-6-5-16-13-23(8-7-18(16)20-17)19(24)14-22-11-9-21(3)10-12-22/h5-6,15H,4,7-14H2,1-3H3
InChIKeyZTUBJVAWFKNTFD-UHFFFAOYSA-N
XLogP1.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555329
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555308
2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone
CID 134555323
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 155471367
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 166696843
N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 147008290
1-(5-bromo-1,3-dihydroisoindol-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 166463445
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95610855
(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 142358596

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 139539068) is 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone is CCC(C)c1ccc2c(n1)CCN(C(=O)CN1CCN(C)CC1)C2.
What is the InChIKey of 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZTUBJVAWFKNTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-15(2)17-6-5-16-13-23(8-7-18(16)20-17)19(24)14-22-11-9-21(3)10-12-22/h5-6,15H,4,7-14H2,1-3H3.
What are the key properties of 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 330.48 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 139539068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).