1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

C18H26N4O — CID 155471367

IUPAC1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCCc1ccc2c(n1)CCN(C(=O)CN1CC3(CN(C)C3)C1)C2
InChIInChI=1S/C18H26N4O/c1-3-15-5-4-14-8-22(7-6-16(14)19-15)17(23)9-21-12-18(13-21)10-20(2)11-18/h4-5H,3,6-13H2,1-2H3
InChIKeyABVMNDQDUZMWQS-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.78
Rot. Bonds3

About 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 155471367) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
PubChem CID155471367
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCCc1ccc2c(n1)CCN(C(=O)CN1CC3(CN(C)C3)C1)C2
InChIInChI=1S/C18H26N4O/c1-3-15-5-4-14-8-22(7-6-16(14)19-15)17(23)9-21-12-18(13-21)10-20(2)11-18/h4-5H,3,6-13H2,1-2H3
InChIKeyABVMNDQDUZMWQS-UHFFFAOYSA-N
XLogP0.78
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 166696843
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 139539068
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100139
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
3-hydroxy-1-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 129100147
2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
tert-butyl 2-(hydroxymethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 118681345
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
3,3-dimethyl-1-(2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)butan-1-one
CID 170947731

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 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) is 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is CCc1ccc2c(n1)CCN(C(=O)CN1CC3(CN(C)C3)C1)C2.
What is the InChIKey of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is ABVMNDQDUZMWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-15-5-4-14-8-22(7-6-16(14)19-15)17(23)9-21-12-18(13-21)10-20(2)11-18/h4-5H,3,6-13H2,1-2H3.
What are the key properties of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 314.43 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 155471367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).