N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C19H19N3O4 — CID 58055673

IUPACN-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C1CCc2c(OC3CCc4cc(C(=O)NO)ccc4C3)ccnc2N1
InChIInChI=1S/C19H19N3O4/c23-17-6-5-15-16(7-8-20-18(15)21-17)26-14-4-3-11-9-13(19(24)22-25)2-1-12(11)10-14/h1-2,7-9,14,25H,3-6,10H2,(H,22,24)(H,20,21,23)
InChIKeyVQILUADYVSFLAY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.02
Rot. Bonds3

About N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 58055673) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID58055673
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C1CCc2c(OC3CCc4cc(C(=O)NO)ccc4C3)ccnc2N1
InChIInChI=1S/C19H19N3O4/c23-17-6-5-15-16(7-8-20-18(15)21-17)26-14-4-3-11-9-13(19(24)22-25)2-1-12(11)10-14/h1-2,7-9,14,25H,3-6,10H2,(H,22,24)(H,20,21,23)
InChIKeyVQILUADYVSFLAY-UHFFFAOYSA-N
XLogP2.02
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 58055673) is N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C1CCc2c(OC3CCc4cc(C(=O)NO)ccc4C3)ccnc2N1.
What is the InChIKey of N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is VQILUADYVSFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-17-6-5-15-16(7-8-20-18(15)21-17)26-14-4-3-11-9-13(19(24)22-25)2-1-12(11)10-14/h1-2,7-9,14,25H,3-6,10H2,(H,22,24)(H,20,21,23).
What are the key properties of N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58055673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).