2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide

C18H14F2N4O2 — CID 71128082

IUPAC2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)cncc1-c1cc2cnc(NC(=O)C3CC3F)cc2c[n+]1[O-]
InChIInChI=1S/C18H14F2N4O2/c1-9-13(6-21-7-15(9)20)16-2-10-5-22-17(3-11(10)8-24(16)26)23-18(25)12-4-14(12)19/h2-3,5-8,12,14H,4H2,1H3,(H,22,23,25)
InChIKeyCKFKKGDOSWBOHE-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.67
Rot. Bonds3

About 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide

2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide (PubChem CID 71128082) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide
PubChem CID71128082
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)cncc1-c1cc2cnc(NC(=O)C3CC3F)cc2c[n+]1[O-]
InChIInChI=1S/C18H14F2N4O2/c1-9-13(6-21-7-15(9)20)16-2-10-5-22-17(3-11(10)8-24(16)26)23-18(25)12-4-14(12)19/h2-3,5-8,12,14H,4H2,1H3,(H,22,23,25)
InChIKeyCKFKKGDOSWBOHE-UHFFFAOYSA-N
XLogP2.67
TPSA81.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide (CID 71128082) is 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide is Cc1c(F)cncc1-c1cc2cnc(NC(=O)C3CC3F)cc2c[n+]1[O-].
What is the InChIKey of 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CKFKKGDOSWBOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-9-13(6-21-7-15(9)20)16-2-10-5-22-17(3-11(10)8-24(16)26)23-18(25)12-4-14(12)19/h2-3,5-8,12,14H,4H2,1H3,(H,22,23,25).
What are the key properties of 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-(5-fluoro-4-methyl-3-pyridinyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71128082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).