N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide

C18H15N3O4 — CID 71730162

IUPACN-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(Oc3ccc(O)cc3)nc2)c1
InChIInChI=1S/C18H15N3O4/c1-24-16-4-2-3-12(9-16)17(23)21-13-10-19-18(20-11-13)25-15-7-5-14(22)6-8-15/h2-11,22H,1H3,(H,21,23)
InChIKeyDXVCCLPGWMZNIM-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide

N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide (PubChem CID 71730162) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide
PubChem CID71730162
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(Oc3ccc(O)cc3)nc2)c1
InChIInChI=1S/C18H15N3O4/c1-24-16-4-2-3-12(9-16)17(23)21-13-10-19-18(20-11-13)25-15-7-5-14(22)6-8-15/h2-11,22H,1H3,(H,21,23)
InChIKeyDXVCCLPGWMZNIM-UHFFFAOYSA-N
XLogP3.24
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide (CID 71730162) is N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cnc(Oc3ccc(O)cc3)nc2)c1.
What is the InChIKey of N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide?
The InChIKey is DXVCCLPGWMZNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-24-16-4-2-3-12(9-16)17(23)21-13-10-19-18(20-11-13)25-15-7-5-14(22)6-8-15/h2-11,22H,1H3,(H,21,23).
What are the key properties of N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide?
N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide has a molecular weight of 337.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 71730162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).