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

C18H14ClN3O2 — CID 67974671

IUPACN-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2c[n+]([O-])c(-c3ccccc3Cl)cc2cn1)C1CC1
InChIInChI=1S/C18H14ClN3O2/c19-15-4-2-1-3-14(15)16-7-12-9-20-17(8-13(12)10-22(16)24)21-18(23)11-5-6-11/h1-4,7-11H,5-6H2,(H,20,21,23)
InChIKeyOVFCEYUVTJTSFT-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.54
Rot. Bonds3

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

N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide (PubChem CID 67974671) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide
PubChem CID67974671
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2c[n+]([O-])c(-c3ccccc3Cl)cc2cn1)C1CC1
InChIInChI=1S/C18H14ClN3O2/c19-15-4-2-1-3-14(15)16-7-12-9-20-17(8-13(12)10-22(16)24)21-18(23)11-5-6-11/h1-4,7-11H,5-6H2,(H,20,21,23)
InChIKeyOVFCEYUVTJTSFT-UHFFFAOYSA-N
XLogP3.54
TPSA68.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.54
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-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide (CID 67974671) is N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2c[n+]([O-])c(-c3ccccc3Cl)cc2cn1)C1CC1.
What is the InChIKey of N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
The InChIKey is OVFCEYUVTJTSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-4-2-1-3-14(15)16-7-12-9-20-17(8-13(12)10-22(16)24)21-18(23)11-5-6-11/h1-4,7-11H,5-6H2,(H,20,21,23).
What are the key properties of N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide?
N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chlorophenyl)-6-oxido-2,6-naphthyridin-6-ium-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).