6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide

C23H16F3N3O4 — CID 23653451

IUPAC6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc12
InChIInChI=1S/C23H16F3N3O4/c24-23(25,26)33-18-5-2-4-15(10-18)29-22(31)20-6-1-3-14-9-17(7-8-19(14)20)32-21-11-16(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)
InChIKeyLJJJCFWZVZYVCC-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.07
Rot. Bonds6

About 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide

6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide (PubChem CID 23653451) has the molecular formula C23H16F3N3O4 and a molecular weight of 455.39 g/mol. Its IUPAC name is 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
PubChem CID23653451
Molecular FormulaC23H16F3N3O4
Molecular Weight455.39 g/mol
Exact Mass455.11
IUPAC Name6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc12
InChIInChI=1S/C23H16F3N3O4/c24-23(25,26)33-18-5-2-4-15(10-18)29-22(31)20-6-1-3-14-9-17(7-8-19(14)20)32-21-11-16(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)
InChIKeyLJJJCFWZVZYVCC-UHFFFAOYSA-N
XLogP5.07
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
CID 178083953
CID 178083953
N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813351
N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652435
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652495
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813523
6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813795
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
CID 23652869
6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 24762797
6-(6-aminopyrimidin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 90947528
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874

Frequently Asked Questions

What is the IUPAC name of 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide (CID 23653451) is 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc12.
What is the InChIKey of 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The InChIKey is LJJJCFWZVZYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4/c24-23(25,26)33-18-5-2-4-15(10-18)29-22(31)20-6-1-3-14-9-17(7-8-19(14)20)32-21-11-16(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31).
What are the key properties of 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 23653451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).