3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one

C9H11N3O2 — CID 141286394

IUPAC3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one
SMILESCc1ccnc2c1N(O)C(=O)C(N)C2
InChIInChI=1S/C9H11N3O2/c1-5-2-3-11-7-4-6(10)9(13)12(14)8(5)7/h2-3,6,14H,4,10H2,1H3
InChIKeyMSYMLBQKOKTUHA-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.00
Rot. Bonds

About 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one

3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one (PubChem CID 141286394) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one
PubChem CID141286394
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one
SMILESCc1ccnc2c1N(O)C(=O)C(N)C2
InChIInChI=1S/C9H11N3O2/c1-5-2-3-11-7-4-6(10)9(13)12(14)8(5)7/h2-3,6,14H,4,10H2,1H3
InChIKeyMSYMLBQKOKTUHA-UHFFFAOYSA-N
XLogP-0.00
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one?
The IUPAC name of 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one (CID 141286394) is 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one is Cc1ccnc2c1N(O)C(=O)C(N)C2.
What is the InChIKey of 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one?
The InChIKey is MSYMLBQKOKTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-2-3-11-7-4-6(10)9(13)12(14)8(5)7/h2-3,6,14H,4,10H2,1H3.
What are the key properties of 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one?
3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-8-methyl-3,4-dihydro-1,5-naphthyridin-2-one is sourced from PubChem (CID 141286394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).