N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide

C17H15N3O5 — CID 54726859

IUPACN-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2c(O)c3cccnc3[nH]c2=O)cc(OC)c1
InChIInChI=1S/C17H15N3O5/c1-24-10-6-9(7-11(8-10)25-2)19-16(22)13-14(21)12-4-3-5-18-15(12)20-17(13)23/h3-8H,1-2H3,(H,19,22)(H2,18,20,21,23)
InChIKeyZINCBSIHWVLBPU-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.90
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide

N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 54726859) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID54726859
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2c(O)c3cccnc3[nH]c2=O)cc(OC)c1
InChIInChI=1S/C17H15N3O5/c1-24-10-6-9(7-11(8-10)25-2)19-16(22)13-14(21)12-4-3-5-18-15(12)20-17(13)23/h3-8H,1-2H3,(H,19,22)(H2,18,20,21,23)
InChIKeyZINCBSIHWVLBPU-UHFFFAOYSA-N
XLogP1.90
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 54726859) is N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide is COc1cc(NC(=O)c2c(O)c3cccnc3[nH]c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZINCBSIHWVLBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-10-6-9(7-11(8-10)25-2)19-16(22)13-14(21)12-4-3-5-18-15(12)20-17(13)23/h3-8H,1-2H3,(H,19,22)(H2,18,20,21,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).