N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide

C19H16FN3O2 — CID 67974365

IUPACN-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-]
InChIInChI=1S/C19H16FN3O2/c1-11-2-5-15(20)8-16(11)17-6-13-9-21-18(7-14(13)10-23(17)25)22-19(24)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,21,22,24)
InChIKeyFGEMBNICMDVZJX-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.33
Rot. Bonds3

About N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide (PubChem CID 67974365) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide
PubChem CID67974365
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-]
InChIInChI=1S/C19H16FN3O2/c1-11-2-5-15(20)8-16(11)17-6-13-9-21-18(7-14(13)10-23(17)25)22-19(24)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,21,22,24)
InChIKeyFGEMBNICMDVZJX-UHFFFAOYSA-N
XLogP3.33
TPSA68.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide (CID 67974365) is N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-].
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
The InChIKey is FGEMBNICMDVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-11-2-5-15(20)8-16(11)17-6-13-9-21-18(7-14(13)10-23(17)25)22-19(24)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,21,22,24).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).