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

C25H20FN3O2 — CID 71115169

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Oc2ccccc2)n1
InChIInChI=1S/C25H20FN3O2/c1-15-7-10-18(26)12-20(15)22-11-17-14-27-23(29-24(30)16-8-9-16)13-21(17)25(28-22)31-19-5-3-2-4-6-19/h2-7,10-14,16H,8-9H2,1H3,(H,27,29,30)
InChIKeyIYXFCPLUYBXEMC-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.89
Rot. Bonds5

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

N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 71115169) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID71115169
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Oc2ccccc2)n1
InChIInChI=1S/C25H20FN3O2/c1-15-7-10-18(26)12-20(15)22-11-17-14-27-23(29-24(30)16-8-9-16)13-21(17)25(28-22)31-19-5-3-2-4-6-19/h2-7,10-14,16H,8-9H2,1H3,(H,27,29,30)
InChIKeyIYXFCPLUYBXEMC-UHFFFAOYSA-N
XLogP5.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 71115169) is N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Oc2ccccc2)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is IYXFCPLUYBXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-15-7-10-18(26)12-20(15)22-11-17-14-27-23(29-24(30)16-8-9-16)13-21(17)25(28-22)31-19-5-3-2-4-6-19/h2-7,10-14,16H,8-9H2,1H3,(H,27,29,30).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 413.45 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).