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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 164784627
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 174750188
CID 59700291
CID 59700291
(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 141203207
3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 135169558
(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane
CID 143080637
(2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
CID 142826664
N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 71767274
1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 69424274
(1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 70960555
N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 88578323

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).