6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide

C27H20N4O2 — CID 127041171

IUPAC6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2cc(Oc3ccnc(Nc4ccccc4)n3)ccc12
InChIInChI=1S/C27H20N4O2/c32-26(29-20-9-3-1-4-10-20)24-13-7-8-19-18-22(14-15-23(19)24)33-25-16-17-28-27(31-25)30-21-11-5-2-6-12-21/h1-18H,(H,29,32)(H,28,30,31)
InChIKeyRWSPWJGGPDQSBH-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.42
Rot. Bonds6

About 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide

6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide (PubChem CID 127041171) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
PubChem CID127041171
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2cc(Oc3ccnc(Nc4ccccc4)n3)ccc12
InChIInChI=1S/C27H20N4O2/c32-26(29-20-9-3-1-4-10-20)24-13-7-8-19-18-22(14-15-23(19)24)33-25-16-17-28-27(31-25)30-21-11-5-2-6-12-21/h1-18H,(H,29,32)(H,28,30,31)
InChIKeyRWSPWJGGPDQSBH-UHFFFAOYSA-N
XLogP6.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide (CID 127041171) is 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide is O=C(Nc1ccccc1)c1cccc2cc(Oc3ccnc(Nc4ccccc4)n3)ccc12.
What is the InChIKey of 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
The InChIKey is RWSPWJGGPDQSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c32-26(29-20-9-3-1-4-10-20)24-13-7-8-19-18-22(14-15-23(19)24)33-25-16-17-28-27(31-25)30-21-11-5-2-6-12-21/h1-18H,(H,29,32)(H,28,30,31).
What are the key properties of 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-anilinopyrimidin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 127041171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).