(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one

C13H19N3O — CID 93342682

IUPAC(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C13H19N3O/c1-2-4-11(14)13(17)16-8-6-12-10(9-16)5-3-7-15-12/h3,5,7,11H,2,4,6,8-9,14H2,1H3/t11-/m0/s1
InChIKeyNXNCNBPPMQXRAT-NSHDSACASA-N
MW233.31 g/mol
LogP1.09
Rot. Bonds3

About (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one

(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one (PubChem CID 93342682) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
PubChem CID93342682
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C13H19N3O/c1-2-4-11(14)13(17)16-8-6-12-10(9-16)5-3-7-15-12/h3,5,7,11H,2,4,6,8-9,14H2,1H3/t11-/m0/s1
InChIKeyNXNCNBPPMQXRAT-NSHDSACASA-N
XLogP1.09
TPSA59.22 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 ≤ 51.09
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
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-methylpropan-1-one
CID 64591291
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79195947
2-amino-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-1-one
CID 61219541
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670
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
2-(tert-butylamino)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79257456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one (CID 93342682) is (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CCc2ncccc2C1.
What is the InChIKey of (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one?
The InChIKey is NXNCNBPPMQXRAT-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-4-11(14)13(17)16-8-6-12-10(9-16)5-3-7-15-12/h3,5,7,11H,2,4,6,8-9,14H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one?
(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one is sourced from PubChem (CID 93342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).