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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Related Compounds

cis-(1R,2R)-2-fluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123747
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 167189108
2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 167188961
2-fluoro-N-[6-(5-fluoro-4-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686390
cis-(1S,2S)-N-[7-(6-chloro-5-fluoro-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 86674978
N-[7-(6-chloro-5-fluoro-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 140602730
(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 167188299
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123806
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71128099

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).