1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone

C16H25N3O — CID 59766994

IUPAC1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCc2ncc(C(C)(C)C)cc2C1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-8-12-10-19(15(20)11-18(4)5)7-6-14(12)17-9-13/h8-9H,6-7,10-11H2,1-5H3
InChIKeyLMCRNMQJJKMJFO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.83
Rot. Bonds2

About 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone

1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone (PubChem CID 59766994) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
PubChem CID59766994
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCc2ncc(C(C)(C)C)cc2C1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-8-12-10-19(15(20)11-18(4)5)7-6-14(12)17-9-13/h8-9H,6-7,10-11H2,1-5H3
InChIKeyLMCRNMQJJKMJFO-UHFFFAOYSA-N
XLogP1.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone (CID 59766994) is 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCc2ncc(C(C)(C)C)cc2C1.
What is the InChIKey of 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone?
The InChIKey is LMCRNMQJJKMJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)13-8-12-10-19(15(20)11-18(4)5)7-6-14(12)17-9-13/h8-9H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone?
1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 59766994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).