6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide

C29H23N3O4 — CID 23652869

IUPAC6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
SMILESCOCc1nccc(Oc2ccc3c(C(=O)Nc4cccc(Oc5ccccc5)c4)cccc3c2)n1
InChIInChI=1S/C29H23N3O4/c1-34-19-27-30-16-15-28(32-27)36-24-13-14-25-20(17-24)7-5-12-26(25)29(33)31-21-8-6-11-23(18-21)35-22-9-3-2-4-10-22/h2-18H,19H2,1H3,(H,31,33)
InChIKeyPJBDBJJPQNLEQV-UHFFFAOYSA-N
MW477.52 g/mol
LogP6.61
Rot. Bonds8

About 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide

6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide (PubChem CID 23652869) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
PubChem CID23652869
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC Name6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
SMILESCOCc1nccc(Oc2ccc3c(C(=O)Nc4cccc(Oc5ccccc5)c4)cccc3c2)n1
InChIInChI=1S/C29H23N3O4/c1-34-19-27-30-16-15-28(32-27)36-24-13-14-25-20(17-24)7-5-12-26(25)29(33)31-21-8-6-11-23(18-21)35-22-9-3-2-4-10-22/h2-18H,19H2,1H3,(H,31,33)
InChIKeyPJBDBJJPQNLEQV-UHFFFAOYSA-N
XLogP6.61
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
CID 122377977
N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813351
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652495
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044
6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 67406449
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]naphthalene-1-carboxamide
CID 23649066
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
3-methyl-N-(3-phenoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 150166666
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
2-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 52577778

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide (CID 23652869) is 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide is COCc1nccc(Oc2ccc3c(C(=O)Nc4cccc(Oc5ccccc5)c4)cccc3c2)n1.
What is the InChIKey of 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide?
The InChIKey is PJBDBJJPQNLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4/c1-34-19-27-30-16-15-28(32-27)36-24-13-14-25-20(17-24)7-5-12-26(25)29(33)31-21-8-6-11-23(18-21)35-22-9-3-2-4-10-22/h2-18H,19H2,1H3,(H,31,33).
What are the key properties of 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide?
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 23652869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).