6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide

C28H22N4O3 — CID 127038478

IUPAC6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
SMILESCOc1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)n2)c1
InChIInChI=1S/C28H22N4O3/c1-34-22-11-6-10-21(18-22)31-28-29-16-15-26(32-28)35-23-13-14-24-19(17-23)7-5-12-25(24)27(33)30-20-8-3-2-4-9-20/h2-18H,1H3,(H,30,33)(H,29,31,32)
InChIKeyZCSHGIGMGLWSIY-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.43
Rot. Bonds7

About 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide

6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide (PubChem CID 127038478) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
PubChem CID127038478
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
SMILESCOc1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)n2)c1
InChIInChI=1S/C28H22N4O3/c1-34-22-11-6-10-21(18-22)31-28-29-16-15-26(32-28)35-23-13-14-24-19(17-23)7-5-12-25(24)27(33)30-20-8-3-2-4-9-20/h2-18H,1H3,(H,30,33)(H,29,31,32)
InChIKeyZCSHGIGMGLWSIY-UHFFFAOYSA-N
XLogP6.43
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bfh-772
CID 24756034
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
Risimtinib
CID 145351764
3-isopropyl-N-(4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440295
3-isopropyl-N-(4-methyl-3-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440296
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
Jnj-10258859
CID 10074226
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 10907083
1-Methyl-4-[4-methyl-3-[2-(methylamino)quinazolin-7-yl]oxybenzoyl]-2,5-diphenylpyrazol-3-one
CID 118730411

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide (CID 127038478) is 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide is COc1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)n2)c1.
What is the InChIKey of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
The InChIKey is ZCSHGIGMGLWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3/c1-34-22-11-6-10-21(18-22)31-28-29-16-15-26(32-28)35-23-13-14-24-19(17-23)7-5-12-25(24)27(33)30-20-8-3-2-4-9-20/h2-18H,1H3,(H,30,33)(H,29,31,32).
What are the key properties of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 6.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 127038478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).