6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C23H17F3N4O2 — CID 67406449

IUPAC6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3cc(Oc4ccnc(N)n4)ccc23)cc1C(F)(F)F
InChIInChI=1S/C23H17F3N4O2/c1-13-5-6-15(12-19(13)23(24,25)26)29-21(31)18-4-2-3-14-11-16(7-8-17(14)18)32-20-9-10-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeyUABWKKXAYFPRLN-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.58
Rot. Bonds4

About 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 67406449) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID67406449
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3cc(Oc4ccnc(N)n4)ccc23)cc1C(F)(F)F
InChIInChI=1S/C23H17F3N4O2/c1-13-5-6-15(12-19(13)23(24,25)26)29-21(31)18-4-2-3-14-11-16(7-8-17(14)18)32-20-9-10-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeyUABWKKXAYFPRLN-UHFFFAOYSA-N
XLogP5.58
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 24762705
6-(6-aminopyrimidin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 90947528
6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 24762797
6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 24763377
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
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide
CID 24762799
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23653137
6-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
CID 122377977
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652645

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 67406449) is 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3cc(Oc4ccnc(N)n4)ccc23)cc1C(F)(F)F.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is UABWKKXAYFPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-13-5-6-15(12-19(13)23(24,25)26)29-21(31)18-4-2-3-14-11-16(7-8-17(14)18)32-20-9-10-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30).
What are the key properties of 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 67406449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).