4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine

C26H24F2N4O — CID 24898750

IUPAC4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
SMILESCc1ccccc1-c1c2nc(NC3CCNCC3)cc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C26H24F2N4O/c1-16-4-2-3-5-19(16)26-25-21(10-13-32(26)33)22(20-7-6-17(27)14-23(20)28)15-24(31-25)30-18-8-11-29-12-9-18/h2-7,10,13-15,18,29H,8-9,11-12H2,1H3,(H,30,31)
InChIKeyLDPNBRPWXRNCOE-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.95
Rot. Bonds4

About 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine

4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine (PubChem CID 24898750) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
PubChem CID24898750
Molecular FormulaC26H24F2N4O
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
SMILESCc1ccccc1-c1c2nc(NC3CCNCC3)cc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C26H24F2N4O/c1-16-4-2-3-5-19(16)26-25-21(10-13-32(26)33)22(20-7-6-17(27)14-23(20)28)15-24(31-25)30-18-8-11-29-12-9-18/h2-7,10,13-15,18,29H,8-9,11-12H2,1H3,(H,30,31)
InChIKeyLDPNBRPWXRNCOE-UHFFFAOYSA-N
XLogP4.95
TPSA63.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
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 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine (CID 24898750) is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine is Cc1ccccc1-c1c2nc(NC3CCNCC3)cc(-c3ccc(F)cc3F)c2cc[n+]1[O-].
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine?
The InChIKey is LDPNBRPWXRNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O/c1-16-4-2-3-5-19(16)26-25-21(10-13-32(26)33)22(20-7-6-17(27)14-23(20)28)15-24(31-25)30-18-8-11-29-12-9-18/h2-7,10,13-15,18,29H,8-9,11-12H2,1H3,(H,30,31).
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine?
4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine has a molecular weight of 446.50 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine is sourced from PubChem (CID 24898750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).