N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C16H13N3O3 — CID 129214459

IUPACN-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2cccnc2n(O)c1=O
InChIInChI=1S/C16H13N3O3/c20-15(18-10-11-5-2-1-3-6-11)13-9-12-7-4-8-17-14(12)19(22)16(13)21/h1-9,22H,10H2,(H,18,20)
InChIKeyVPGMRKKQEUCHJE-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.56
Rot. Bonds3

About N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 129214459) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID129214459
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2cccnc2n(O)c1=O
InChIInChI=1S/C16H13N3O3/c20-15(18-10-11-5-2-1-3-6-11)13-9-12-7-4-8-17-14(12)19(22)16(13)21/h1-9,22H,10H2,(H,18,20)
InChIKeyVPGMRKKQEUCHJE-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 129214459) is N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccccc1)c1cc2cccnc2n(O)c1=O.
What is the InChIKey of N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VPGMRKKQEUCHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-15(18-10-11-5-2-1-3-6-11)13-9-12-7-4-8-17-14(12)19(22)16(13)21/h1-9,22H,10H2,(H,18,20).
What are the key properties of N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 129214459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).