1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one

C13H19N3O — CID 79195947

IUPAC1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C13H19N3O/c1-10(8-14-2)13(17)16-7-5-12-11(9-16)4-3-6-15-12/h3-4,6,10,14H,5,7-9H2,1-2H3
InChIKeyHABHEYBMGLNJNK-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds3

About 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 79195947) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID79195947
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C13H19N3O/c1-10(8-14-2)13(17)16-7-5-12-11(9-16)4-3-6-15-12/h3-4,6,10,14H,5,7-9H2,1-2H3
InChIKeyHABHEYBMGLNJNK-UHFFFAOYSA-N
XLogP0.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-(methylamino)butan-1-one
CID 60862591
(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
CID 93342682
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670
2-(tert-butylamino)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79257456
2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 112735249
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,2-dimethylpropan-1-one
CID 63680928
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one (CID 79195947) is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCc2ncccc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is HABHEYBMGLNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(8-14-2)13(17)16-7-5-12-11(9-16)4-3-6-15-12/h3-4,6,10,14H,5,7-9H2,1-2H3.
What are the key properties of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 79195947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).