N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C23H20N4O3 — CID 59813351

IUPACN-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4cccc(OC)c4)cccc3c2)ncn1
InChIInChI=1S/C23H20N4O3/c1-24-21-13-22(26-14-25-21)30-18-9-10-19-15(11-18)5-3-8-20(19)23(28)27-16-6-4-7-17(12-16)29-2/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyJPURTCSGNDTGEF-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.72
Rot. Bonds6

About N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813351) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID59813351
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4cccc(OC)c4)cccc3c2)ncn1
InChIInChI=1S/C23H20N4O3/c1-24-21-13-22(26-14-25-21)30-18-9-10-19-15(11-18)5-3-8-20(19)23(28)27-16-6-4-7-17(12-16)29-2/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyJPURTCSGNDTGEF-UHFFFAOYSA-N
XLogP4.72
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652495
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
CID 23652869
N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane
CID 143083690
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23653137
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652645
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 59813351) is N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is CNc1cc(Oc2ccc3c(C(=O)Nc4cccc(OC)c4)cccc3c2)ncn1.
What is the InChIKey of N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is JPURTCSGNDTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-24-21-13-22(26-14-25-21)30-18-9-10-19-15(11-18)5-3-8-20(19)23(28)27-16-6-4-7-17(12-16)29-2/h3-14H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).